1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene

C29H22 — CID 132584149

IUPAC1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H22/c1-4-10-22(11-5-1)24-16-18-26(19-17-24)29-21-27(23-12-6-2-7-13-23)20-28(29)25-14-8-3-9-15-25/h1-21,29H
InChIKeyXHNVZAKZJHVRJV-UHFFFAOYSA-N
MW370.50 g/mol
LogP7.62
Rot. Bonds4

About 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene

1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene (PubChem CID 132584149) has the molecular formula C29H22 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene
PubChem CID132584149
Molecular FormulaC29H22
Molecular Weight370.50 g/mol
Exact Mass370.17
IUPAC Name1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H22/c1-4-10-22(11-5-1)24-16-18-26(19-17-24)29-21-27(23-12-6-2-7-13-23)20-28(29)25-14-8-3-9-15-25/h1-21,29H
InChIKeyXHNVZAKZJHVRJV-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene
CID 142424685
(2-phenylcycloprop-2-en-1-yl)benzene
CID 12828641
7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145073335
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(2R,3R)-2,3-bis(4-phenylphenyl)oxirane
CID 15400082
1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene
CID 102079091
benzene;tris(1,1'-biphenyl)
CID 162155747
2,6-dimethyl-4-phenyl-3aH-indene
CID 23399065
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,2-dihydropyridine
CID 145212320
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
2-[3-[(5S)-3,5-diphenylcyclopenta-1,3-dien-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-1,4-dihydrobenzo[h]quinazoline
CID 118552463
benzene;bis(1,1'-biphenyl);methane
CID 158742993

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene?
The IUPAC name of 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene (CID 132584149) is 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene.
What is the SMILES notation for 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene?
The canonical SMILES for 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene is C1=C(c2ccccc2)C=C(c2ccccc2)C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene?
The InChIKey is XHNVZAKZJHVRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22/c1-4-10-22(11-5-1)24-16-18-26(19-17-24)29-21-27(23-12-6-2-7-13-23)20-28(29)25-14-8-3-9-15-25/h1-21,29H.
What are the key properties of 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene?
1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene has a molecular weight of 370.50 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene is sourced from PubChem (CID 132584149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).