1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one

C27H28O — CID 168831082

IUPAC1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one
SMILESO=C(CCc1cccc2c1C=CC2)C1CC(C2=CC=CC2)CC1C1=CC=CC1
InChIInChI=1S/C27H28O/c28-27(16-15-22-12-5-11-20-13-6-14-24(20)22)26-18-23(19-7-1-2-8-19)17-25(26)21-9-3-4-10-21/h1-7,9,11-12,14,23,25-26H,8,10,13,15-18H2
InChIKeyJSHSLLQEVKVBBB-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.17
Rot. Bonds6

About 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one

1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one (PubChem CID 168831082) has the molecular formula C27H28O and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one
PubChem CID168831082
Molecular FormulaC27H28O
Molecular Weight368.52 g/mol
Exact Mass368.21
IUPAC Name1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one
SMILESO=C(CCc1cccc2c1C=CC2)C1CC(C2=CC=CC2)CC1C1=CC=CC1
InChIInChI=1S/C27H28O/c28-27(16-15-22-12-5-11-20-13-6-14-24(20)22)26-18-23(19-7-1-2-8-19)17-25(26)21-9-3-4-10-21/h1-7,9,11-12,14,23,25-26H,8,10,13,15-18H2
InChIKeyJSHSLLQEVKVBBB-UHFFFAOYSA-N
XLogP6.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one?
The IUPAC name of 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one (CID 168831082) is 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one.
What is the SMILES notation for 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one?
The canonical SMILES for 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one is O=C(CCc1cccc2c1C=CC2)C1CC(C2=CC=CC2)CC1C1=CC=CC1.
What is the InChIKey of 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one?
The InChIKey is JSHSLLQEVKVBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O/c28-27(16-15-22-12-5-11-20-13-6-14-24(20)22)26-18-23(19-7-1-2-8-19)17-25(26)21-9-3-4-10-21/h1-7,9,11-12,14,23,25-26H,8,10,13,15-18H2.
What are the key properties of 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one?
1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one has a molecular weight of 368.52 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one is sourced from PubChem (CID 168831082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).