1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene

C46H36 — CID 22765483

IUPAC1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
SMILESC(=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H22.C18H14/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-22H;1-14H/b27-21+,28-22+;
InChIKeyFDVNGJODIURMGM-RGDWNXMRSA-N
MW588.79 g/mol
LogP12.49
Rot. Bonds7

About 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene

1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene (PubChem CID 22765483) has the molecular formula C46H36 and a molecular weight of 588.79 g/mol. Its IUPAC name is 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
PubChem CID22765483
Molecular FormulaC46H36
Molecular Weight588.79 g/mol
Exact Mass588.28
IUPAC Name1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
SMILESC(=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H22.C18H14/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-22H;1-14H/b27-21+,28-22+;
InChIKeyFDVNGJODIURMGM-RGDWNXMRSA-N
XLogP12.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.79
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
CID 73056693
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700
(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
CID 12637252
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
2-(4-phenylphenyl)ethene-1,1-diamine
CID 173373118
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene?
The IUPAC name of 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene (CID 22765483) is 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene.
What is the SMILES notation for 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene?
The canonical SMILES for 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene is C(=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene?
The InChIKey is FDVNGJODIURMGM-RGDWNXMRSA-N. The full InChI is InChI=1S/C28H22.C18H14/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-22H;1-14H/b27-21+,28-22+;.
What are the key properties of 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene?
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene has a molecular weight of 588.79 g/mol, XLogP of 12.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 22765483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).