4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline

C33H30N2 — CID 22013286

IUPAC4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
SMILESCc1ccc(Nc2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H30N2/c1-24-4-14-29(15-5-24)34-30-16-10-27(11-17-30)28-12-22-33(23-13-28)35(31-18-6-25(2)7-19-31)32-20-8-26(3)9-21-32/h4-23,34H,1-3H3
InChIKeyBRJRVDAFUNFFCA-UHFFFAOYSA-N
MW454.62 g/mol
LogP9.49
Rot. Bonds6

About 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline

4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 22013286) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
PubChem CID22013286
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
SMILESCc1ccc(Nc2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H30N2/c1-24-4-14-29(15-5-24)34-30-16-10-27(11-17-30)28-12-22-33(23-13-28)35(31-18-6-25(2)7-19-31)32-20-8-26(3)9-21-32/h4-23,34H,1-3H3
InChIKeyBRJRVDAFUNFFCA-UHFFFAOYSA-N
XLogP9.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine
CID 22013282
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
4-methyl-N-phenylaniline;[4-(N-phenylanilino)phenyl]boronic acid;N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 159104775
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
benzene;N-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 143529579

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline (CID 22013286) is 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline is Cc1ccc(Nc2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is BRJRVDAFUNFFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2/c1-24-4-14-29(15-5-24)34-30-16-10-27(11-17-30)28-12-22-33(23-13-28)35(31-18-6-25(2)7-19-31)32-20-8-26(3)9-21-32/h4-23,34H,1-3H3.
What are the key properties of 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 454.62 g/mol, XLogP of 9.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 22013286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).