3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine

C43H48N2 — CID 138600389

IUPAC3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine
SMILESCC1=CC=CC(N(c2cccc(C)c2)c2ccc(C3=CC(C)C=C(N(C4=CC(C)CCC4)c4cccc(C)c4)C=C3)c(C)c2)C1
InChIInChI=1S/C43H48N2/c1-30-11-7-15-37(24-30)44(38-16-8-12-31(2)25-38)41-20-19-36(23-34(5)28-41)43-22-21-42(29-35(43)6)45(39-17-9-13-32(3)26-39)40-18-10-14-33(4)27-40/h7,9-11,13-15,17-26,28-29,31,34,40H,8,12,16,27H2,1-6H3
InChIKeyVAVAINWANIUKKA-UHFFFAOYSA-N
MW592.87 g/mol
LogP11.71
Rot. Bonds7

About 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine

3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine (PubChem CID 138600389) has the molecular formula C43H48N2 and a molecular weight of 592.87 g/mol. Its IUPAC name is 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine
PubChem CID138600389
Molecular FormulaC43H48N2
Molecular Weight592.87 g/mol
Exact Mass592.38
IUPAC Name3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine
SMILESCC1=CC=CC(N(c2cccc(C)c2)c2ccc(C3=CC(C)C=C(N(C4=CC(C)CCC4)c4cccc(C)c4)C=C3)c(C)c2)C1
InChIInChI=1S/C43H48N2/c1-30-11-7-15-37(24-30)44(38-16-8-12-31(2)25-38)41-20-19-36(23-34(5)28-41)43-22-21-42(29-35(43)6)45(39-17-9-13-32(3)26-39)40-18-10-14-33(4)27-40/h7,9-11,13-15,17-26,28-29,31,34,40H,8,12,16,27H2,1-6H3
InChIKeyVAVAINWANIUKKA-UHFFFAOYSA-N
XLogP11.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.87
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine (CID 138600389) is 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine is CC1=CC=CC(N(c2cccc(C)c2)c2ccc(C3=CC(C)C=C(N(C4=CC(C)CCC4)c4cccc(C)c4)C=C3)c(C)c2)C1.
What is the InChIKey of 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine?
The InChIKey is VAVAINWANIUKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N2/c1-30-11-7-15-37(24-30)44(38-16-8-12-31(2)25-38)41-20-19-36(23-34(5)28-41)43-22-21-42(29-35(43)6)45(39-17-9-13-32(3)26-39)40-18-10-14-33(4)27-40/h7,9-11,13-15,17-26,28-29,31,34,40H,8,12,16,27H2,1-6H3.
What are the key properties of 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine?
3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine has a molecular weight of 592.87 g/mol, XLogP of 11.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 138600389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).