N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline

C46H50N2 — CID 155371748

IUPACN-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline
SMILESCC1C=C(N(C2=CC=C(c3ccc(Cc4ccc(N(c5ccccc5)C5C=CC=CC5)cc4)cc3)CC2)C2C=CC=CC2C)C(C)CC1
InChIInChI=1S/C46H50N2/c1-34-18-19-36(3)46(32-34)48(45-17-11-10-12-35(45)2)44-30-26-40(27-31-44)39-24-20-37(21-25-39)33-38-22-28-43(29-23-38)47(41-13-6-4-7-14-41)42-15-8-5-9-16-42/h4-15,17,20-26,28-30,32,34-36,42,45H,16,18-19,27,31,33H2,1-3H3
InChIKeyOVMYQRAGBWASHL-UHFFFAOYSA-N
MW630.92 g/mol
LogP11.74
Rot. Bonds9

About N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline

N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline (PubChem CID 155371748) has the molecular formula C46H50N2 and a molecular weight of 630.92 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline
PubChem CID155371748
Molecular FormulaC46H50N2
Molecular Weight630.92 g/mol
Exact Mass630.40
IUPAC NameN-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline
SMILESCC1C=C(N(C2=CC=C(c3ccc(Cc4ccc(N(c5ccccc5)C5C=CC=CC5)cc4)cc3)CC2)C2C=CC=CC2C)C(C)CC1
InChIInChI=1S/C46H50N2/c1-34-18-19-36(3)46(32-34)48(45-17-11-10-12-35(45)2)44-30-26-40(27-31-44)39-24-20-37(21-25-39)33-38-22-28-43(29-23-38)47(41-13-6-4-7-14-41)42-15-8-5-9-16-42/h4-15,17,20-26,28-30,32,34-36,42,45H,16,18-19,27,31,33H2,1-3H3
InChIKeyOVMYQRAGBWASHL-UHFFFAOYSA-N
XLogP11.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.92
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline with MolForge

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Related Compounds

N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline
CID 166943361
4-N-[4-[(1S)-1-amino-2-phenyl-1-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]ethyl]phenyl]-1-N-cyclohexa-2,4-dien-1-yl-4-N-[6-methyl-4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]-1-N-phenylbenzene-1,4-diamine
CID 134217347
N-cyclohexa-2,4-dien-1-yl-4-[4-[4-[N-(4-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-4-[4-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 166723491
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 144687013
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 166978744
N-cyclohexa-2,4-dien-1-yl-N-[4-(4-methylphenyl)phenyl]-3-triphenylen-2-ylaniline;ethane;2-(3-methylphenyl)triphenylene;toluene
CID 145321587
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[10-[4-(N-phenylanilino)phenyl]-3,4-dihydroanthracen-9-yl]aniline
CID 71012747
N-cyclohexa-2,4-dien-1-yl-N-[4-[4-[2-(N-(3-iodophenyl)anilino)ethyl]phenyl]phenyl]-3-methylaniline
CID 143129602
N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine
CID 90070851

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline (CID 155371748) is N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline is CC1C=C(N(C2=CC=C(c3ccc(Cc4ccc(N(c5ccccc5)C5C=CC=CC5)cc4)cc3)CC2)C2C=CC=CC2C)C(C)CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline?
The InChIKey is OVMYQRAGBWASHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50N2/c1-34-18-19-36(3)46(32-34)48(45-17-11-10-12-35(45)2)44-30-26-40(27-31-44)39-24-20-37(21-25-39)33-38-22-28-43(29-23-38)47(41-13-6-4-7-14-41)42-15-8-5-9-16-42/h4-15,17,20-26,28-30,32,34-36,42,45H,16,18-19,27,31,33H2,1-3H3.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline?
N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline has a molecular weight of 630.92 g/mol, XLogP of 11.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-4-[[4-[4-[(3,6-dimethylcyclohexen-1-yl)-(6-methylcyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]phenyl]methyl]-N-phenylaniline is sourced from PubChem (CID 155371748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).