2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline

C47H42N2 — CID 71277286

IUPAC2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5)cc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C47H42N2/c1-33-11-21-42(22-12-33)48(43-23-13-34(2)14-24-43)46-29-19-40(31-36(46)4)41-20-30-47(37(5)32-41)49(44-25-15-35(3)16-26-44)45-27-17-39(18-28-45)38-9-7-6-8-10-38/h6-32H,1-5H3
InChIKeyRFYWBXPABVLCCB-UHFFFAOYSA-N
MW634.87 g/mol
LogP13.50
Rot. Bonds8

About 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline

2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline (PubChem CID 71277286) has the molecular formula C47H42N2 and a molecular weight of 634.87 g/mol. Its IUPAC name is 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
PubChem CID71277286
Molecular FormulaC47H42N2
Molecular Weight634.87 g/mol
Exact Mass634.33
IUPAC Name2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5)cc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C47H42N2/c1-33-11-21-42(22-12-33)48(43-23-13-34(2)14-24-43)46-29-19-40(31-36(46)4)41-20-30-47(37(5)32-41)49(44-25-15-35(3)16-26-44)45-27-17-39(18-28-45)38-9-7-6-8-10-38/h6-32H,1-5H3
InChIKeyRFYWBXPABVLCCB-UHFFFAOYSA-N
XLogP13.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.87
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(2-methyl-4-phenylphenyl)pyrene-1,6-diamine
CID 129062606
2-N,7-N-bis(2-methyl-4-phenylphenyl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 129062954
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline
CID 20761159
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465
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
4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 101478385
N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline
CID 121322783
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline (CID 71277286) is 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5)cc4)c(C)c3)cc2C)cc1.
What is the InChIKey of 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The InChIKey is RFYWBXPABVLCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42N2/c1-33-11-21-42(22-12-33)48(43-23-13-34(2)14-24-43)46-29-19-40(31-36(46)4)41-20-30-47(37(5)32-41)49(44-25-15-35(3)16-26-44)45-27-17-39(18-28-45)38-9-7-6-8-10-38/h6-32H,1-5H3.
What are the key properties of 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline has a molecular weight of 634.87 g/mol, XLogP of 13.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 71277286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).