1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene

C30H26 — CID 73056693

IUPAC1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
SMILESC/C=C(C(=C/C)/c1ccc(-c2ccccc2)cc1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H26/c1-3-29(27-19-15-25(16-20-27)23-11-7-5-8-12-23)30(4-2)28-21-17-26(18-22-28)24-13-9-6-10-14-24/h3-22H,1-2H3/b29-3+,30-4+
InChIKeyILTZAJQWAFJTMT-PSWLKOFHSA-N
MW386.54 g/mol
LogP8.53
Rot. Bonds5

About 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene

1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene (PubChem CID 73056693) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
PubChem CID73056693
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
SMILESC/C=C(C(=C/C)/c1ccc(-c2ccccc2)cc1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H26/c1-3-29(27-19-15-25(16-20-27)23-11-7-5-8-12-23)30(4-2)28-21-17-26(18-22-28)24-13-9-6-10-14-24/h3-22H,1-2H3/b29-3+,30-4+
InChIKeyILTZAJQWAFJTMT-PSWLKOFHSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1-(1-fluoroprop-1-en-2-yl)-4-phenylbenzene
CID 134863084
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
1-(4-phenylphenyl)ethenol
CID 89336300
ethane;1-(4-phenylphenyl)ethanone
CID 123256888

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene?
The IUPAC name of 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene (CID 73056693) is 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene.
What is the SMILES notation for 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene?
The canonical SMILES for 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene is C/C=C(C(=C/C)/c1ccc(-c2ccccc2)cc1)\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene?
The InChIKey is ILTZAJQWAFJTMT-PSWLKOFHSA-N. The full InChI is InChI=1S/C30H26/c1-3-29(27-19-15-25(16-20-27)23-11-7-5-8-12-23)30(4-2)28-21-17-26(18-22-28)24-13-9-6-10-14-24/h3-22H,1-2H3/b29-3+,30-4+.
What are the key properties of 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene?
1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene has a molecular weight of 386.54 g/mol, XLogP of 8.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene is sourced from PubChem (CID 73056693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).