N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline

C30H27N — CID 123475710

IUPACN-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
SMILESCC=CC(=CC)c1ccc(Nc2ccc(-c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H27N/c1-3-9-23(4-2)25-14-18-29(19-15-25)31-30-20-16-26(17-21-30)28-13-8-12-27(22-28)24-10-6-5-7-11-24/h3-22,31H,1-2H3
InChIKeyGWSOEOVGBABFFI-UHFFFAOYSA-N
MW401.55 g/mol
LogP8.74
Rot. Bonds6

About N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline

N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline (PubChem CID 123475710) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
PubChem CID123475710
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC NameN-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
SMILESCC=CC(=CC)c1ccc(Nc2ccc(-c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H27N/c1-3-9-23(4-2)25-14-18-29(19-15-25)31-30-20-16-26(17-21-30)28-13-8-12-27(22-28)24-10-6-5-7-11-24/h3-22,31H,1-2H3
InChIKeyGWSOEOVGBABFFI-UHFFFAOYSA-N
XLogP8.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 58.74
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

N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline
CID 156827248
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
CID 145067455
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
CID 135243485
4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
CID 126711831
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-amine
CID 166647173
N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 88567954
N-[4-(4-hexa-1,3,5-trien-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 123956268

Frequently Asked Questions

What is the IUPAC name of N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline?
The IUPAC name of N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline (CID 123475710) is N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline?
The canonical SMILES for N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline is CC=CC(=CC)c1ccc(Nc2ccc(-c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline?
The InChIKey is GWSOEOVGBABFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-3-9-23(4-2)25-14-18-29(19-15-25)31-30-20-16-26(17-21-30)28-13-8-12-27(22-28)24-10-6-5-7-11-24/h3-22,31H,1-2H3.
What are the key properties of N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline?
N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline has a molecular weight of 401.55 g/mol, XLogP of 8.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 123475710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).