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

C42H40N2 — CID 14533959

IUPAC2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline
SMILESCc1cccc(N(c2cccc(C)c2)c2ccc(-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)c(C)c3)cc2C)c1
InChIInChI=1S/C42H40N2/c1-29-11-7-15-37(23-29)43(38-16-8-12-30(2)24-38)41-21-19-35(27-33(41)5)36-20-22-42(34(6)28-36)44(39-17-9-13-31(3)25-39)40-18-10-14-32(4)26-40/h7-28H,1-6H3
InChIKeyTZYPEOJJHBWOKE-UHFFFAOYSA-N
MW572.80 g/mol
LogP12.14
Rot. Bonds7

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

2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline (PubChem CID 14533959) has the molecular formula C42H40N2 and a molecular weight of 572.80 g/mol. Its IUPAC name is 2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline.

Molecular Properties

Compound Name2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline
PubChem CID14533959
Molecular FormulaC42H40N2
Molecular Weight572.80 g/mol
Exact Mass572.32
IUPAC Name2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline
SMILESCc1cccc(N(c2cccc(C)c2)c2ccc(-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)c(C)c3)cc2C)c1
InChIInChI=1S/C42H40N2/c1-29-11-7-15-37(23-29)43(38-16-8-12-30(2)24-38)41-21-19-35(27-33(41)5)36-20-22-42(34(6)28-36)44(39-17-9-13-31(3)25-39)40-18-10-14-32(4)26-40/h7-28H,1-6H3
InChIKeyTZYPEOJJHBWOKE-UHFFFAOYSA-N
XLogP12.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.80
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline?
The IUPAC name of 2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline (CID 14533959) is 2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline.
What is the SMILES notation for 2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline?
The canonical SMILES for 2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline is Cc1cccc(N(c2cccc(C)c2)c2ccc(-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)c(C)c3)cc2C)c1.
What is the InChIKey of 2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline?
The InChIKey is TZYPEOJJHBWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N2/c1-29-11-7-15-37(23-29)43(38-16-8-12-30(2)24-38)41-21-19-35(27-33(41)5)36-20-22-42(34(6)28-36)44(39-17-9-13-31(3)25-39)40-18-10-14-32(4)26-40/h7-28H,1-6H3.
What are the key properties of 2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline?
2-methyl-4-[3-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline has a molecular weight of 572.80 g/mol, XLogP of 12.14, 7 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-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline is sourced from PubChem (CID 14533959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).