1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C30H24N2 — CID 4163727

IUPAC1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C30H24N2/c1-5-14-25(15-6-1)31(26-16-7-2-8-17-26)29-22-13-23-30(24-29)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24H
InChIKeyIOXVRZSNGAOKFG-UHFFFAOYSA-N
MW412.54 g/mol
LogP8.63
Rot. Bonds6

About 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 4163727) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID4163727
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C30H24N2/c1-5-14-25(15-6-1)31(26-16-7-2-8-17-26)29-22-13-23-30(24-29)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24H
InChIKeyIOXVRZSNGAOKFG-UHFFFAOYSA-N
XLogP8.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N,N-diphenylaniline;silane
CID 131739129
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine
CID 123228848
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
azane;N,N-diphenylaniline;methane
CID 174725062

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 4163727) is 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is IOXVRZSNGAOKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-5-14-25(15-6-1)31(26-16-7-2-8-17-26)29-22-13-23-30(24-29)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24H.
What are the key properties of 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 412.54 g/mol, XLogP of 8.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 4163727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).