4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline

C46H50N2 — CID 142867911

IUPAC4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline
SMILESCC1=CCC(N(c2ccc(C)cc2)c2ccc(C3(C4=CC=C(N(c5ccc(C)cc5)c5ccc(C)cc5)CC4)CCCCC3)cc2)C=C1
InChIInChI=1S/C46H50N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-18,20-22,24-30,41H,5-7,19,23,31-33H2,1-4H3
InChIKeyJMHVDQMWXOYJGN-UHFFFAOYSA-N
MW630.92 g/mol
LogP12.67
Rot. Bonds8

About 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline

4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline (PubChem CID 142867911) has the molecular formula C46H50N2 and a molecular weight of 630.92 g/mol. Its IUPAC name is 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline
PubChem CID142867911
Molecular FormulaC46H50N2
Molecular Weight630.92 g/mol
Exact Mass630.40
IUPAC Name4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline
SMILESCC1=CCC(N(c2ccc(C)cc2)c2ccc(C3(C4=CC=C(N(c5ccc(C)cc5)c5ccc(C)cc5)CC4)CCCCC3)cc2)C=C1
InChIInChI=1S/C46H50N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-18,20-22,24-30,41H,5-7,19,23,31-33H2,1-4H3
InChIKeyJMHVDQMWXOYJGN-UHFFFAOYSA-N
XLogP12.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.92
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline (CID 142867911) is 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline is CC1=CCC(N(c2ccc(C)cc2)c2ccc(C3(C4=CC=C(N(c5ccc(C)cc5)c5ccc(C)cc5)CC4)CCCCC3)cc2)C=C1.
What is the InChIKey of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline?
The InChIKey is JMHVDQMWXOYJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-18,20-22,24-30,41H,5-7,19,23,31-33H2,1-4H3.
What are the key properties of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline?
4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline has a molecular weight of 630.92 g/mol, XLogP of 12.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline is sourced from PubChem (CID 142867911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).