N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline

C31H26N2 — CID 11235664

IUPACN-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C31H26N2/c1-24-9-8-14-31(23-24)33(29-12-6-3-7-13-29)30-21-17-26(18-22-30)25-15-19-28(20-16-25)32-27-10-4-2-5-11-27/h2-23,32H,1H3
InChIKeyHUDPZCBEKKXUMD-UHFFFAOYSA-N
MW426.56 g/mol
LogP8.88
Rot. Bonds6

About N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline

N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline (PubChem CID 11235664) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
PubChem CID11235664
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC NameN-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C31H26N2/c1-24-9-8-14-31(23-24)33(29-12-6-3-7-13-29)30-21-17-26(18-22-30)25-15-19-28(20-16-25)32-27-10-4-2-5-11-27/h2-23,32H,1H3
InChIKeyHUDPZCBEKKXUMD-UHFFFAOYSA-N
XLogP8.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-anilinophenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71054362
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530
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
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide
CID 58722470
3-(N-[4-[4-(N-(3-methylphenyl)anilino)anilino]phenyl]anilino)benzonitrile
CID 70805216
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline?
The IUPAC name of N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline (CID 11235664) is N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline?
The canonical SMILES for N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)c1.
What is the InChIKey of N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline?
The InChIKey is HUDPZCBEKKXUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2/c1-24-9-8-14-31(23-24)33(29-12-6-3-7-13-29)30-21-17-26(18-22-30)25-15-19-28(20-16-25)32-27-10-4-2-5-11-27/h2-23,32H,1H3.
What are the key properties of N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline?
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline has a molecular weight of 426.56 g/mol, XLogP of 8.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline is sourced from PubChem (CID 11235664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).