4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline

C47H43N — CID 139302927

IUPAC4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(N(c2ccccc2)c2ccc(C3=CCC(/C(=C(\C4=CCCC=C4)c4ccccc4)c4ccccc4)C=C3)cc2)cc1
InChIInChI=1S/C47H43N/c1-35(2)36-27-31-44(32-28-36)48(43-21-13-6-14-22-43)45-33-29-38(30-34-45)37-23-25-42(26-24-37)47(41-19-11-5-12-20-41)46(39-15-7-3-8-16-39)40-17-9-4-10-18-40/h3,5-9,11-25,27-35,42H,4,10,26H2,1-2H3/b47-46-
InChIKeyUKXOHLWCEUMHRF-GNUNVXCFSA-N
MW621.87 g/mol
LogP13.13
Rot. Bonds9

About 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline

4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline (PubChem CID 139302927) has the molecular formula C47H43N and a molecular weight of 621.87 g/mol. Its IUPAC name is 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
PubChem CID139302927
Molecular FormulaC47H43N
Molecular Weight621.87 g/mol
Exact Mass621.34
IUPAC Name4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(N(c2ccccc2)c2ccc(C3=CCC(/C(=C(\C4=CCCC=C4)c4ccccc4)c4ccccc4)C=C3)cc2)cc1
InChIInChI=1S/C47H43N/c1-35(2)36-27-31-44(32-28-36)48(43-21-13-6-14-22-43)45-33-29-38(30-34-45)37-23-25-42(26-24-37)47(41-19-11-5-12-20-41)46(39-15-7-3-8-16-39)40-17-9-4-10-18-40/h3,5-9,11-25,27-35,42H,4,10,26H2,1-2H3/b47-46-
InChIKeyUKXOHLWCEUMHRF-GNUNVXCFSA-N
XLogP13.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.87
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline with MolForge

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
CID 142540149
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
2-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]propanedinitrile
CID 143467248
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
1-N,3-N-bis(4-tert-butylphenyl)-3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 123682396
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline (CID 139302927) is 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline is CC(C)c1ccc(N(c2ccccc2)c2ccc(C3=CCC(/C(=C(\C4=CCCC=C4)c4ccccc4)c4ccccc4)C=C3)cc2)cc1.
What is the InChIKey of 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is UKXOHLWCEUMHRF-GNUNVXCFSA-N. The full InChI is InChI=1S/C47H43N/c1-35(2)36-27-31-44(32-28-36)48(43-21-13-6-14-22-43)45-33-29-38(30-34-45)37-23-25-42(26-24-37)47(41-19-11-5-12-20-41)46(39-15-7-3-8-16-39)40-17-9-4-10-18-40/h3,5-9,11-25,27-35,42H,4,10,26H2,1-2H3/b47-46-.
What are the key properties of 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 621.87 g/mol, XLogP of 13.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-2-cyclohexa-1,5-dien-1-yl-1,2-diphenylethenyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 139302927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).