4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline

C39H33N — CID 12049245

IUPAC4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
SMILESCc1cccc(-c2ccc(N(c3ccc(-c4cccc(C)c4)cc3)c3ccc(-c4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C39H33N/c1-28-7-4-10-34(25-28)31-13-19-37(20-14-31)40(38-21-15-32(16-22-38)35-11-5-8-29(2)26-35)39-23-17-33(18-24-39)36-12-6-9-30(3)27-36/h4-27H,1-3H3
InChIKeyKQOUFBMJMPCYFC-UHFFFAOYSA-N
MW515.70 g/mol
LogP11.08
Rot. Bonds6

About 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline

4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline (PubChem CID 12049245) has the molecular formula C39H33N and a molecular weight of 515.70 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
PubChem CID12049245
Molecular FormulaC39H33N
Molecular Weight515.70 g/mol
Exact Mass515.26
IUPAC Name4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
SMILESCc1cccc(-c2ccc(N(c3ccc(-c4cccc(C)c4)cc3)c3ccc(-c4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C39H33N/c1-28-7-4-10-34(25-28)31-13-19-37(20-14-31)40(38-21-15-32(16-22-38)35-11-5-8-29(2)26-35)39-23-17-33(18-24-39)36-12-6-9-30(3)27-36/h4-27H,1-3H3
InChIKeyKQOUFBMJMPCYFC-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

4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline?
The IUPAC name of 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline (CID 12049245) is 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline?
The canonical SMILES for 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline is Cc1cccc(-c2ccc(N(c3ccc(-c4cccc(C)c4)cc3)c3ccc(-c4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline?
The InChIKey is KQOUFBMJMPCYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N/c1-28-7-4-10-34(25-28)31-13-19-37(20-14-31)40(38-21-15-32(16-22-38)35-11-5-8-29(2)26-35)39-23-17-33(18-24-39)36-12-6-9-30(3)27-36/h4-27H,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline?
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline 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 4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline is sourced from PubChem (CID 12049245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).