3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene

C33H42 — CID 22595381

IUPAC3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene
SMILESCCCC(C)C1=CC(C2(C3C=C(C(C)CCC)c4ccccc43)CCCC2)c2ccccc21
InChIInChI=1S/C33H42/c1-5-13-23(3)29-21-31(27-17-9-7-15-25(27)29)33(19-11-12-20-33)32-22-30(24(4)14-6-2)26-16-8-10-18-28(26)32/h7-10,15-18,21-24,31-32H,5-6,11-14,19-20H2,1-4H3
InChIKeyJMZFXXABRPIEGX-UHFFFAOYSA-N
MW438.70 g/mol
LogP9.78
Rot. Bonds8

About 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene

3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene (PubChem CID 22595381) has the molecular formula C33H42 and a molecular weight of 438.70 g/mol. Its IUPAC name is 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene.

Molecular Properties

Compound Name3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene
PubChem CID22595381
Molecular FormulaC33H42
Molecular Weight438.70 g/mol
Exact Mass438.33
IUPAC Name3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene
SMILESCCCC(C)C1=CC(C2(C3C=C(C(C)CCC)c4ccccc43)CCCC2)c2ccccc21
InChIInChI=1S/C33H42/c1-5-13-23(3)29-21-31(27-17-9-7-15-25(27)29)33(19-11-12-20-33)32-22-30(24(4)14-6-2)26-16-8-10-18-28(26)32/h7-10,15-18,21-24,31-32H,5-6,11-14,19-20H2,1-4H3
InChIKeyJMZFXXABRPIEGX-UHFFFAOYSA-N
XLogP9.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 74681
9-Methylfluorene
CID 17299
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
1,1,2,3,3-Pentamethylindan
CID 14549
Benzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-
CID 5376315
9,9-Dimethylfluorene
CID 78325
1-n-Hexadecylindan
CID 266426
2,4-Diphenyl-4-methyl-2(e)-pentene
CID 5356300
Dimethyl(1-phenylethyl)benzene
CID 3033855
5,10-Dihydro-indeno(2,1-A)indene
CID 275896
1-Methyl-3-phenylindane
CID 22924

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene?
The IUPAC name of 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene (CID 22595381) is 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene.
What is the SMILES notation for 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene?
The canonical SMILES for 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene is CCCC(C)C1=CC(C2(C3C=C(C(C)CCC)c4ccccc43)CCCC2)c2ccccc21.
What is the InChIKey of 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene?
The InChIKey is JMZFXXABRPIEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42/c1-5-13-23(3)29-21-31(27-17-9-7-15-25(27)29)33(19-11-12-20-33)32-22-30(24(4)14-6-2)26-16-8-10-18-28(26)32/h7-10,15-18,21-24,31-32H,5-6,11-14,19-20H2,1-4H3.
What are the key properties of 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene?
3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene has a molecular weight of 438.70 g/mol, XLogP of 9.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-1-[1-(3-pentan-2-yl-1H-inden-1-yl)cyclopentyl]-1H-indene is sourced from PubChem (CID 22595381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).