4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline

C37H31N — CID 89078708

IUPAC4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline
SMILESC=C/C=C(\C=C/CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C37H31N/c1-2-13-30(31-14-6-3-7-15-31)20-12-29-38(36-25-21-34(22-26-36)32-16-8-4-9-17-32)37-27-23-35(24-28-37)33-18-10-5-11-19-33/h2-28H,1,29H2/b20-12-,30-13+
InChIKeyZLOOHLPUFYHZRP-NUQIMWQUSA-N
MW489.66 g/mol
LogP9.98
Rot. Bonds9

About 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline (PubChem CID 89078708) has the molecular formula C37H31N and a molecular weight of 489.66 g/mol. Its IUPAC name is 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline
PubChem CID89078708
Molecular FormulaC37H31N
Molecular Weight489.66 g/mol
Exact Mass489.25
IUPAC Name4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline
SMILESC=C/C=C(\C=C/CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C37H31N/c1-2-13-30(31-14-6-3-7-15-31)20-12-29-38(36-25-21-34(22-26-36)32-16-8-4-9-17-32)37-27-23-35(24-28-37)33-18-10-5-11-19-33/h2-28H,1,29H2/b20-12-,30-13+
InChIKeyZLOOHLPUFYHZRP-NUQIMWQUSA-N
XLogP9.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-7-naphthalen-1-yl-N-[(2Z,4E)-4-(4-phenylphenyl)hepta-2,4,6-trienyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 145298642
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
4-[2-methyl-3-(2-methylphenyl)phenyl]-3-phenyl-N-[(2Z,4E)-4-(4-phenylphenyl)hexa-2,4-dienyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134320887
(2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine
CID 88770312
2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline
CID 160604263
butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113
4-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-2,5-bis[4-(N-phenylanilino)phenyl]-1-N,1-N,4-N-tris(4-phenylphenyl)benzene-1,4-diamine
CID 144761756
3-(9-tert-butylcarbazol-3-yl)-N-[(2Z,5E)-5-methyl-4-methylideneocta-2,5,7-trienyl]-N-(4-phenylphenyl)aniline
CID 140711458
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
1-[(1Z,3E)-3-(4-methylphenyl)hexa-1,3,5-trienyl]-4-(3-phenylphenyl)benzene
CID 145299688

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline (CID 89078708) is 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline is C=C/C=C(\C=C/CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline?
The InChIKey is ZLOOHLPUFYHZRP-NUQIMWQUSA-N. The full InChI is InChI=1S/C37H31N/c1-2-13-30(31-14-6-3-7-15-31)20-12-29-38(36-25-21-34(22-26-36)32-16-8-4-9-17-32)37-27-23-35(24-28-37)33-18-10-5-11-19-33/h2-28H,1,29H2/b20-12-,30-13+.
What are the key properties of 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline has a molecular weight of 489.66 g/mol, XLogP of 9.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 89078708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).