2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline

C37H29N — CID 90277832

IUPAC2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESCc1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H29N/c1-28-27-34(31-15-9-4-10-16-31)21-26-37(28)38(35-22-17-32(18-23-35)29-11-5-2-6-12-29)36-24-19-33(20-25-36)30-13-7-3-8-14-30/h2-27H,1H3
InChIKeyNPVZVIWFYYDYNM-UHFFFAOYSA-N
MW487.65 g/mol
LogP10.47
Rot. Bonds6

About 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline

2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 90277832) has the molecular formula C37H29N and a molecular weight of 487.65 g/mol. Its IUPAC name is 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
PubChem CID90277832
Molecular FormulaC37H29N
Molecular Weight487.65 g/mol
Exact Mass487.23
IUPAC Name2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESCc1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H29N/c1-28-27-34(31-15-9-4-10-16-31)21-26-37(28)38(35-22-17-32(18-23-35)29-11-5-2-6-12-29)36-24-19-33(20-25-36)30-13-7-3-8-14-30/h2-27H,1H3
InChIKeyNPVZVIWFYYDYNM-UHFFFAOYSA-N
XLogP10.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
2-N,7-N-bis(2-methyl-4-phenylphenyl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 129062954
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(2-methyl-4-phenylphenyl)pyrene-1,6-diamine
CID 129062606
2-methyl-4-[3-methyl-4-(N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]-N-phenyl-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 102298250
N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline
CID 121322783
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
CID 59925649
4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121322879
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline (CID 90277832) is 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline is Cc1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is NPVZVIWFYYDYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N/c1-28-27-34(31-15-9-4-10-16-31)21-26-37(28)38(35-22-17-32(18-23-35)29-11-5-2-6-12-29)36-24-19-33(20-25-36)30-13-7-3-8-14-30/h2-27H,1H3.
What are the key properties of 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 487.65 g/mol, XLogP of 10.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 90277832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).