4-(2-{4-[4,6-bis({4-[2-(4-aminophenyl)ethynyl]phenyl})-1,3,5-triazin-2-yl]phenyl}ethynyl)aniline

4-(2-{4-[4,6-bis({4-[2-(4-aminophenyl)ethynyl]phenyl})-1,3,5-triazin-2-yl]phenyl}ethynyl)aniline

Formula: C45H30N6

SMILES: NC1=CC=C(C=C1)C#CC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(C=C1)C#CC1=CC=C(N)C=C1)C1=CC=C(C=C1)C#CC1=CC=C(N)C=C1

IUPAC: 4-(2-{4-[4,6-bis({4-[2-(4-aminophenyl)ethynyl]phenyl})-1,3,5-triazin-2-yl]phenyl}ethynyl)aniline

InChI: InChI=1S/C45H30N6/c46-40-25-13-34(14-26-40)4-1-31-7-19-37(20-8-31)43-49-44(38-21-9-32(10-22-38)2-5-35-15-27-41(47)28-16-35)51-45(50-43)39-23-11-33(12-24-39)3-6-36-17-29-42(48)30-18-36/h7-30H,46-48H2

Composition: C (82.55%), H (4.62%), N (12.84%)

Molar Mass: 654.777

Atom Count: 81

Heavy Atom Count: 51

Properties

Properties

Common Names	N/A
Aromatic Ring Count	7
Asymmetric Atom Count	0
Exact Mass	654.25319499
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	QHXFNRMGDRODMG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	226.37
Topological Polar Surface Area	116.73
Polarizability	78.58
Ring Count	7
Rotatable Bond Count	9

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C45H30N6		Quote Only