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N3,N3,N3',N3'-tetrakis(4-methylphenyl)-[1,1'-biphenyl]-3,3'-diamine

N3,N3,N3',N3'-tetrakis(4-methylphenyl)-[1,1'-biphenyl]-3,3'-diamine

CAS: 161485-60-5

Formula: C40H36N2

SMILES: CC1=CC=C(C=C1)N(C1=CC=C(C)C=C1)C1=CC=CC(=C1)C1=CC(=CC=C1)N(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1

IUPAC: N3,N3,N3',N3'-tetrakis(4-methylphenyl)-[1,1'-biphenyl]-3,3'-diamine

InChI: InChI=1S/C40H36N2/c1-29-11-19-35(20-12-29)41(36-21-13-30(2)14-22-36)39-9-5-7-33(27-39)34-8-6-10-40(28-34)42(37-23-15-31(3)16-24-37)38-25-17-32(4)18-26-38/h5-28H,1-4H3

Composition: C (88.20%), H (6.66%), N (5.14%)

Molar Mass: 544.742

Atom Count: 78

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 544.287849167
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AAVPITVHLAHPPZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 177.68
Topological Polar Surface Area 6.48
Polarizability 69.29
Ring Count 6
Rotatable Bond Count 7

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