N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline

C34H32N2 — CID 58038455

IUPACN,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(C)c4ccccc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C34H32N2/c1-25-15-19-32(20-16-25)36(31-13-9-6-10-14-31)34-22-18-29(24-27(34)3)28-17-21-33(26(2)23-28)35(4)30-11-7-5-8-12-30/h5-24H,1-4H3
InChIKeyPWRLMEATMVUHKH-UHFFFAOYSA-N
MW468.64 g/mol
LogP9.52
Rot. Bonds6

About N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline

N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline (PubChem CID 58038455) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
PubChem CID58038455
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC NameN,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(C)c4ccccc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C34H32N2/c1-25-15-19-32(20-16-25)36(31-13-9-6-10-14-31)34-22-18-29(24-27(34)3)28-17-21-33(26(2)23-28)35(4)30-11-7-5-8-12-30/h5-24H,1-4H3
InChIKeyPWRLMEATMVUHKH-UHFFFAOYSA-N
XLogP9.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline
CID 23593138
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
2-N,7-N-bis(2-methyl-4-phenylphenyl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 129062954
3-N-[4-[4-(N-[3-(diethylamino)phenyl]-4-methylanilino)-3-methylphenyl]-2-methylphenyl]-1-N,1-N-diethyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 20761203
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline
CID 20761159
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(2-methyl-4-phenylphenyl)pyrene-1,6-diamine
CID 129062606

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline?
The IUPAC name of N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline (CID 58038455) is N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline.
What is the SMILES notation for N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline?
The canonical SMILES for N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(C)c4ccccc4)c(C)c3)cc2C)cc1.
What is the InChIKey of N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline?
The InChIKey is PWRLMEATMVUHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1-25-15-19-32(20-16-25)36(31-13-9-6-10-14-31)34-22-18-29(24-27(34)3)28-17-21-33(26(2)23-28)35(4)30-11-7-5-8-12-30/h5-24H,1-4H3.
What are the key properties of N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline?
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline has a molecular weight of 468.64 g/mol, XLogP of 9.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 58038455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).