Text Search
Structure Search

4-(2-{3,6,8-tris[2-(4-aminophenyl)ethynyl]pyren-1-yl}ethynyl)aniline

4-(2-{3,6,8-tris[2-(4-aminophenyl)ethynyl]pyren-1-yl}ethynyl)aniline

CAS: 1404196-75-3

Formula: C48H30N4

SMILES: NC1=CC=C(C=C1)C#CC1=CC(C#CC2=CC=C(N)C=C2)=C2C=CC3=C4C(C=CC1=C24)=C(C=C3C#CC1=CC=C(N)C=C1)C#CC1=CC=C(N)C=C1

IUPAC: 4-(2-{3,6,8-tris[2-(4-aminophenyl)ethynyl]pyren-1-yl}ethynyl)aniline

InChI: InChI=1S/C48H30N4/c49-39-17-5-31(6-18-39)1-13-35-29-36(14-2-32-7-19-40(50)20-8-32)44-27-28-46-38(16-4-34-11-23-42(52)24-12-34)30-37(15-3-33-9-21-41(51)22-10-33)45-26-25-43(35)47(44)48(45)46/h5-12,17-30H,49-52H2

Composition: C (86.98%), H (4.56%), N (8.45%)

Molar Mass: 662.796

Atom Count: 82

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 8
Asymmetric Atom Count 0
Exact Mass 662.247046982
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 4
InChIKey XTBAGFFOEWDGGT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 196.87
Topological Polar Surface Area 104.08
Polarizability 83.02
Ring Count 8
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 1404196-75-3 Quote Only
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1404196-75-3 $45.40$45.40
Request Quote