5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene

C23H22 — CID 158968883

IUPAC5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene
SMILESCC(C)C1C=Cc2cc(C3=CCC(c4ccccc4)=C3)ccc21
InChIInChI=1S/C23H22/c1-16(2)22-12-11-21-15-20(10-13-23(21)22)19-9-8-18(14-19)17-6-4-3-5-7-17/h3-7,9-16,22H,8H2,1-2H3
InChIKeyJNNZUYZADOHEFD-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.32
Rot. Bonds3

About 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene

5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene (PubChem CID 158968883) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene.

Molecular Properties

Compound Name5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene
PubChem CID158968883
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene
SMILESCC(C)C1C=Cc2cc(C3=CCC(c4ccccc4)=C3)ccc21
InChIInChI=1S/C23H22/c1-16(2)22-12-11-21-15-20(10-13-23(21)22)19-9-8-18(14-19)17-6-4-3-5-7-17/h3-7,9-16,22H,8H2,1-2H3
InChIKeyJNNZUYZADOHEFD-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene
CID 157426220
[5-(3-phenylcyclopenta-1,3-dien-1-yl)-1H-inden-1-yl]methanediol
CID 156522067
5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene
CID 159096324
[5-[3-[4-(2-phenylethyl)phenyl]cyclopenta-1,3-dien-1-yl]-1H-inden-1-yl]methanediol
CID 156522024
[5-[3-[2-(hydroxymethyl)phenyl]cyclopenta-1,3-dien-1-yl]-1H-inden-1-yl]methanediol
CID 156522181
5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-ol
CID 156521847
7-[3-[1-(dihydroxymethyl)-1H-inden-5-yl]cyclopenta-1,3-dien-1-yl]-3,3-bis(hydroxymethyl)-2,4-dihydronaphthalen-1-one
CID 156522248
3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol
CID 156522095
2-[4-[3-(1-cyclopentyl-1H-inden-5-yl)cyclopenta-1,3-dien-1-yl]phenyl]ethane-1,1-diol
CID 156522122
1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene
CID 160638448
1-[(5-hydroxy-1H-inden-1-yl)-(4-phenylphenyl)methyl]-1H-inden-5-ol
CID 135255367
[5-[4-(3-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]-1H-inden-1-yl]methanediol
CID 156522112

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene?
The IUPAC name of 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene (CID 158968883) is 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene.
What is the SMILES notation for 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene?
The canonical SMILES for 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene is CC(C)C1C=Cc2cc(C3=CCC(c4ccccc4)=C3)ccc21.
What is the InChIKey of 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene?
The InChIKey is JNNZUYZADOHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-16(2)22-12-11-21-15-20(10-13-23(21)22)19-9-8-18(14-19)17-6-4-3-5-7-17/h3-7,9-16,22H,8H2,1-2H3.
What are the key properties of 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene?
5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene has a molecular weight of 298.43 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene is sourced from PubChem (CID 158968883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).