1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine

C38H32N2 — CID 141120368

IUPAC1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H32N2/c1-29-21-25-34(26-22-29)39(35-27-23-30(2)24-28-35)37-20-12-19-36(31-13-6-3-7-14-31)38(37)40(32-15-8-4-9-16-32)33-17-10-5-11-18-33/h3-28H,1-2H3
InChIKeyAOLXQVGQLZRVJS-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.91
Rot. Bonds7

About 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine

1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine (PubChem CID 141120368) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine
PubChem CID141120368
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H32N2/c1-29-21-25-34(26-22-29)39(35-27-23-30(2)24-28-35)37-20-12-19-36(31-13-6-3-7-14-31)38(37)40(32-15-8-4-9-16-32)33-17-10-5-11-18-33/h3-28H,1-2H3
InChIKeyAOLXQVGQLZRVJS-UHFFFAOYSA-N
XLogP10.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
N-[4-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)-2-phenylaniline
CID 155198907
3-N-(4-methylphenyl)-1-N-[3-(N-(4-methylphenyl)anilino)-4-phenylphenyl]-1-N,3-N,4-triphenylbenzene-1,3-diamine
CID 139762641
4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
CID 169016081
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline
CID 162082403
N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 121387026

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine (CID 141120368) is 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine is Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine?
The InChIKey is AOLXQVGQLZRVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-29-21-25-34(26-22-29)39(35-27-23-30(2)24-28-35)37-20-12-19-36(31-13-6-3-7-14-31)38(37)40(32-15-8-4-9-16-32)33-17-10-5-11-18-33/h3-28H,1-2H3.
What are the key properties of 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine?
1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine has a molecular weight of 516.69 g/mol, XLogP of 10.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine is sourced from PubChem (CID 141120368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).