1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine

C30H24N2 — CID 169027344

IUPAC1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2Nc2cccc(Nc3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C30H24N2/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)31-25-16-11-17-26(22-25)32-30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22,31-32H
InChIKeyGUMULNRGYDPMIC-UHFFFAOYSA-N
MW412.54 g/mol
LogP8.51
Rot. Bonds6

About 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine

1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 169027344) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
PubChem CID169027344
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2Nc2cccc(Nc3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C30H24N2/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)31-25-16-11-17-26(22-25)32-30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22,31-32H
InChIKeyGUMULNRGYDPMIC-UHFFFAOYSA-N
XLogP8.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
benzene;N,2-diphenylaniline
CID 175029921
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine
CID 144681198
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
2-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908587
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine (CID 169027344) is 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccccc2Nc2cccc(Nc3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The InChIKey is GUMULNRGYDPMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)31-25-16-11-17-26(22-25)32-30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22,31-32H.
What are the key properties of 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 412.54 g/mol, XLogP of 8.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 169027344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).