1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine

C32H27N — CID 173097180

IUPAC1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine
SMILESNC(C=Cc1ccccc1)=Cc1cccc(C=Cc2ccccc2)c1C=Cc1ccccc1
InChIInChI=1S/C32H27N/c33-31(23-20-27-13-6-2-7-14-27)25-30-18-10-17-29(22-19-26-11-4-1-5-12-26)32(30)24-21-28-15-8-3-9-16-28/h1-25H,33H2
InChIKeyOGVCPANGOBACDS-UHFFFAOYSA-N
MW425.58 g/mol
LogP8.04
Rot. Bonds7

About 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine

1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine (PubChem CID 173097180) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine
PubChem CID173097180
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC Name1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine
SMILESNC(C=Cc1ccccc1)=Cc1cccc(C=Cc2ccccc2)c1C=Cc1ccccc1
InChIInChI=1S/C32H27N/c33-31(23-20-27-13-6-2-7-14-27)25-30-18-10-17-29(22-19-26-11-4-1-5-12-26)32(30)24-21-28-15-8-3-9-16-28/h1-25H,33H2
InChIKeyOGVCPANGOBACDS-UHFFFAOYSA-N
XLogP8.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
CID 20571999
1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene
CID 57279966
CID 172791684
CID 172791684
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
CID 70472676
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole
CID 20515573
but-2-enedioic acid;2,3,4-tris(2-phenylethenyl)phenol
CID 159401430
2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol
CID 175848025

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine?
The IUPAC name of 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine (CID 173097180) is 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine.
What is the SMILES notation for 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine?
The canonical SMILES for 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine is NC(C=Cc1ccccc1)=Cc1cccc(C=Cc2ccccc2)c1C=Cc1ccccc1.
What is the InChIKey of 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine?
The InChIKey is OGVCPANGOBACDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N/c33-31(23-20-27-13-6-2-7-14-27)25-30-18-10-17-29(22-19-26-11-4-1-5-12-26)32(30)24-21-28-15-8-3-9-16-28/h1-25H,33H2.
What are the key properties of 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine?
1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine has a molecular weight of 425.58 g/mol, XLogP of 8.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine is sourced from PubChem (CID 173097180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).