N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline

C28H25N — CID 91049526

IUPACN-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline
SMILESC(=CC1=CCC(Nc2ccccc2)C=C1)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25N/c1-4-12-24(13-5-1)28(25-14-6-2-7-15-25)18-10-11-23-19-21-27(22-20-23)29-26-16-8-3-9-17-26/h1-21,27,29H,22H2
InChIKeyIEMYBGBZLROCSP-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.04
Rot. Bonds6

About N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline

N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline (PubChem CID 91049526) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline.

Molecular Properties

Compound NameN-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline
PubChem CID91049526
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC NameN-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline
SMILESC(=CC1=CCC(Nc2ccccc2)C=C1)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25N/c1-4-12-24(13-5-1)28(25-14-6-2-7-15-25)18-10-11-23-19-21-27(22-20-23)29-26-16-8-3-9-17-26/h1-21,27,29H,22H2
InChIKeyIEMYBGBZLROCSP-UHFFFAOYSA-N
XLogP7.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 70820528
4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline
CID 59086875
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
4-N-[4-(4-anilinoanilino)cyclohexa-1,5-dien-1-yl]-1-N-cyclohexa-2,4-dien-1-ylbenzene-1,4-diamine
CID 163414303
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
[4-[(4-anilinocyclohexa-1,5-dien-1-yl)amino]phenyl] methyl carbonate
CID 163499350
2,3-dimethyl-N-[4-[2-[3-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 91147351
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-1H-pyrazolo[3,4-b]pyridine;methylcyclopropane;methyl formate
CID 176553228
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene
CID 90306652
4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-cyclohexylaniline
CID 23517903
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline?
The IUPAC name of N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline (CID 91049526) is N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline.
What is the SMILES notation for N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline?
The canonical SMILES for N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline is C(=CC1=CCC(Nc2ccccc2)C=C1)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline?
The InChIKey is IEMYBGBZLROCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-4-12-24(13-5-1)28(25-14-6-2-7-15-25)18-10-11-23-19-21-27(22-20-23)29-26-16-8-3-9-17-26/h1-21,27,29H,22H2.
What are the key properties of N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline?
N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline has a molecular weight of 375.52 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline is sourced from PubChem (CID 91049526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).