4,4-bis(4-octylphenyl)indene

C37H48 — CID 141358327

IUPAC4,4-bis(4-octylphenyl)indene
SMILESCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)C=CC=C3C=CC=C32)cc1
InChIInChI=1S/C37H48/c1-3-5-7-9-11-13-17-31-22-26-34(27-23-31)37(30-16-20-33-19-15-21-36(33)37)35-28-24-32(25-29-35)18-14-12-10-8-6-4-2/h15-16,19-30H,3-14,17-18H2,1-2H3
InChIKeyBMUZHJHHNINTAM-UHFFFAOYSA-N
MW492.79 g/mol
LogP10.77
Rot. Bonds16

About 4,4-bis(4-octylphenyl)indene

4,4-bis(4-octylphenyl)indene (PubChem CID 141358327) has the molecular formula C37H48 and a molecular weight of 492.79 g/mol. Its IUPAC name is 4,4-bis(4-octylphenyl)indene.

Molecular Properties

Compound Name4,4-bis(4-octylphenyl)indene
PubChem CID141358327
Molecular FormulaC37H48
Molecular Weight492.79 g/mol
Exact Mass492.38
IUPAC Name4,4-bis(4-octylphenyl)indene
SMILESCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)C=CC=C3C=CC=C32)cc1
InChIInChI=1S/C37H48/c1-3-5-7-9-11-13-17-31-22-26-34(27-23-31)37(30-16-20-33-19-15-21-36(33)37)35-28-24-32(25-29-35)18-14-12-10-8-6-4-2/h15-16,19-30H,3-14,17-18H2,1-2H3
InChIKeyBMUZHJHHNINTAM-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.79
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 59545302
1-ethyl-4-octacosylbenzene
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1-octyl-4-(4-octylphenyl)benzene
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1-methyl-4-octylbenzene
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4-dodecylpyridin-1-ium iodide
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magnesium;1-ethyl-4-heptylbenzene;bromide
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4-(4-hexylphenyl)butyl-dimethylphosphane
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4-octyl-1-(4-octylphenyl)-7-thiabicyclo[4.1.0]hepta-2,4-diene
CID 164756230
[2-(4-octylphenyl)oxan-2-yl]silane
CID 123244691
2,3-difluoro-1-[6-fluoro-6-(4-nonylphenyl)cyclohexa-1,3-dien-1-yl]-4-pentylbenzene
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CID 59759292
CID 59759292
1-iodo-4-octadecylbenzene
CID 141122271

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-octylphenyl)indene?
The IUPAC name of 4,4-bis(4-octylphenyl)indene (CID 141358327) is 4,4-bis(4-octylphenyl)indene.
What is the SMILES notation for 4,4-bis(4-octylphenyl)indene?
The canonical SMILES for 4,4-bis(4-octylphenyl)indene is CCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)C=CC=C3C=CC=C32)cc1.
What is the InChIKey of 4,4-bis(4-octylphenyl)indene?
The InChIKey is BMUZHJHHNINTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48/c1-3-5-7-9-11-13-17-31-22-26-34(27-23-31)37(30-16-20-33-19-15-21-36(33)37)35-28-24-32(25-29-35)18-14-12-10-8-6-4-2/h15-16,19-30H,3-14,17-18H2,1-2H3.
What are the key properties of 4,4-bis(4-octylphenyl)indene?
4,4-bis(4-octylphenyl)indene has a molecular weight of 492.79 g/mol, XLogP of 10.77, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-octylphenyl)indene is sourced from PubChem (CID 141358327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).