2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline

C39H33N — CID 70423976

IUPAC2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline
SMILESCc1c(-c2ccccc2)cccc1N(c1cccc(-c2ccccc2)c1C)c1cccc(-c2ccccc2)c1C
InChIInChI=1S/C39H33N/c1-28-34(31-16-7-4-8-17-31)22-13-25-37(28)40(38-26-14-23-35(29(38)2)32-18-9-5-10-19-32)39-27-15-24-36(30(39)3)33-20-11-6-12-21-33/h4-27H,1-3H3
InChIKeyKQAMZYPKOMXIPQ-UHFFFAOYSA-N
MW515.70 g/mol
LogP11.08
Rot. Bonds6

About 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline

2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline (PubChem CID 70423976) has the molecular formula C39H33N and a molecular weight of 515.70 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline.

Molecular Properties

Compound Name2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline
PubChem CID70423976
Molecular FormulaC39H33N
Molecular Weight515.70 g/mol
Exact Mass515.26
IUPAC Name2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline
SMILESCc1c(-c2ccccc2)cccc1N(c1cccc(-c2ccccc2)c1C)c1cccc(-c2ccccc2)c1C
InChIInChI=1S/C39H33N/c1-28-34(31-16-7-4-8-17-31)22-13-25-37(28)40(38-26-14-23-35(29(38)2)32-18-9-5-10-19-32)39-27-15-24-36(30(39)3)33-20-11-6-12-21-33/h4-27H,1-3H3
InChIKeyKQAMZYPKOMXIPQ-UHFFFAOYSA-N
XLogP11.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-N,3-diphenylaniline
CID 54080390
1-N,3-N-bis(2-methyl-3-phenylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 129062810
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
2-methyl-3-phenylaniline
CID 10511683
N-naphthalen-1-yl-8-phenyl-N-(2-phenylphenyl)naphthalen-1-amine
CID 156570934
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
N,N-dimethyl-2,3-diphenylaniline
CID 18930760
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline?
The IUPAC name of 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline (CID 70423976) is 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline.
What is the SMILES notation for 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline?
The canonical SMILES for 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline is Cc1c(-c2ccccc2)cccc1N(c1cccc(-c2ccccc2)c1C)c1cccc(-c2ccccc2)c1C.
What is the InChIKey of 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline?
The InChIKey is KQAMZYPKOMXIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N/c1-28-34(31-16-7-4-8-17-31)22-13-25-37(28)40(38-26-14-23-35(29(38)2)32-18-9-5-10-19-32)39-27-15-24-36(30(39)3)33-20-11-6-12-21-33/h4-27H,1-3H3.
What are the key properties of 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline?
2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline has a molecular weight of 515.70 g/mol, XLogP of 11.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline is sourced from PubChem (CID 70423976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).