N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine

C35H41N — CID 123583444

IUPACN-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine
SMILESC=C1C=C(C)CCC1N(/C=C(/C1=CCCC=C1)C1C=CC=CC1)C1=CC=C(C2=CC=C(C)CC2)CC1
InChIInChI=1S/C35H41N/c1-26-14-17-29(18-15-26)30-19-21-33(22-20-30)36(35-23-16-27(2)24-28(35)3)25-34(31-10-6-4-7-11-31)32-12-8-5-9-13-32/h4,6-8,10,12-14,17,19,21,24-25,31,35H,3,5,9,11,15-16,18,20,22-23H2,1-2H3/b34-25+
InChIKeyYLYVLHKDKQSKCC-YQCHCMBFSA-N
MW475.72 g/mol
LogP9.52
Rot. Bonds6

About N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine

N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine (PubChem CID 123583444) has the molecular formula C35H41N and a molecular weight of 475.72 g/mol. Its IUPAC name is N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine
PubChem CID123583444
Molecular FormulaC35H41N
Molecular Weight475.72 g/mol
Exact Mass475.32
IUPAC NameN-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine
SMILESC=C1C=C(C)CCC1N(/C=C(/C1=CCCC=C1)C1C=CC=CC1)C1=CC=C(C2=CC=C(C)CC2)CC1
InChIInChI=1S/C35H41N/c1-26-14-17-29(18-15-26)30-19-21-33(22-20-30)36(35-23-16-27(2)24-28(35)3)25-34(31-10-6-4-7-11-31)32-12-8-5-9-13-32/h4,6-8,10,12-14,17,19,21,24-25,31,35H,3,5,9,11,15-16,18,20,22-23H2,1-2H3/b34-25+
InChIKeyYLYVLHKDKQSKCC-YQCHCMBFSA-N
XLogP9.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.72
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine with MolForge

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Related Compounds

5-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-diene-1-carboxylic acid
CID 123761342
1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
CID 156750988
2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 123256945
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
(5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 142615048
N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
CID 70841571
N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-N-[(2R)-3-methyl-1-oxobut-3-en-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 144743765
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
1-N-cyclohexa-2,4-dien-1-yl-4-N-[4-(N-cyclohexa-1,5-dien-1-yl-3-methylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 140938297
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium
CID 118629545
N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 142479212
N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide
CID 163424850

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine?
The IUPAC name of N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine (CID 123583444) is N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine.
What is the SMILES notation for N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine?
The canonical SMILES for N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine is C=C1C=C(C)CCC1N(/C=C(/C1=CCCC=C1)C1C=CC=CC1)C1=CC=C(C2=CC=C(C)CC2)CC1.
What is the InChIKey of N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine?
The InChIKey is YLYVLHKDKQSKCC-YQCHCMBFSA-N. The full InChI is InChI=1S/C35H41N/c1-26-14-17-29(18-15-26)30-19-21-33(22-20-30)36(35-23-16-27(2)24-28(35)3)25-34(31-10-6-4-7-11-31)32-12-8-5-9-13-32/h4,6-8,10,12-14,17,19,21,24-25,31,35H,3,5,9,11,15-16,18,20,22-23H2,1-2H3/b34-25+.
What are the key properties of N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine?
N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine has a molecular weight of 475.72 g/mol, XLogP of 9.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethenyl]-4-methyl-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-methylidenecyclohex-3-en-1-amine is sourced from PubChem (CID 123583444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).