3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline

C31H27N — CID 139294862

IUPAC3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline
SMILESC=C/C(=C\C=C(/C)c1cccc(-c2ccccc2)c1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C31H27N/c1-3-30(32-31-19-11-18-29(23-31)26-14-8-5-9-15-26)21-20-24(2)27-16-10-17-28(22-27)25-12-6-4-7-13-25/h3-23,32H,1H2,2H3/b24-20+,30-21+
InChIKeyFSGIYUPOTSIHHY-ZZPWFQJHSA-N
MW413.56 g/mol
LogP8.61
Rot. Bonds7

About 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline

3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline (PubChem CID 139294862) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline.

Molecular Properties

Compound Name3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline
PubChem CID139294862
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC Name3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline
SMILESC=C/C(=C\C=C(/C)c1cccc(-c2ccccc2)c1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C31H27N/c1-3-30(32-31-19-11-18-29(23-31)26-14-8-5-9-15-26)21-20-24(2)27-16-10-17-28(22-27)25-12-6-4-7-13-25/h3-23,32H,1H2,2H3/b24-20+,30-21+
InChIKeyFSGIYUPOTSIHHY-ZZPWFQJHSA-N
XLogP8.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 58.61
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-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylaniline
CID 145280393
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
(3-phenylphenyl)carbamic acid
CID 611602
ethane;N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 143322906
1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
CID 143872310
(Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane
CID 143992589
N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine
CID 134384412
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methylaniline
CID 144905382
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
CID 145000931

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline?
The IUPAC name of 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline (CID 139294862) is 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline.
What is the SMILES notation for 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline?
The canonical SMILES for 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline is C=C/C(=C\C=C(/C)c1cccc(-c2ccccc2)c1)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline?
The InChIKey is FSGIYUPOTSIHHY-ZZPWFQJHSA-N. The full InChI is InChI=1S/C31H27N/c1-3-30(32-31-19-11-18-29(23-31)26-14-8-5-9-15-26)21-20-24(2)27-16-10-17-28(22-27)25-12-6-4-7-13-25/h3-23,32H,1H2,2H3/b24-20+,30-21+.
What are the key properties of 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline?
3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline has a molecular weight of 413.56 g/mol, XLogP of 8.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline is sourced from PubChem (CID 139294862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).