2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene

C39H56 — CID 139962811

IUPAC2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene
SMILESCCCCCc1cccc2c1C=C(CC(C)C)C2C(C)(C)C1C(CC(C)C)=Cc2c(CCCCC)cccc21
InChIInChI=1S/C39H56/c1-9-11-13-17-29-19-15-21-33-35(29)25-31(23-27(3)4)37(33)39(7,8)38-32(24-28(5)6)26-36-30(18-14-12-10-2)20-16-22-34(36)38/h15-16,19-22,25-28,37-38H,9-14,17-18,23-24H2,1-8H3
InChIKeyFLMSVMWWEDNIRX-UHFFFAOYSA-N
MW524.88 g/mol
LogP11.93
Rot. Bonds14

About 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene

2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene (PubChem CID 139962811) has the molecular formula C39H56 and a molecular weight of 524.88 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene
PubChem CID139962811
Molecular FormulaC39H56
Molecular Weight524.88 g/mol
Exact Mass524.44
IUPAC Name2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene
SMILESCCCCCc1cccc2c1C=C(CC(C)C)C2C(C)(C)C1C(CC(C)C)=Cc2c(CCCCC)cccc21
InChIInChI=1S/C39H56/c1-9-11-13-17-29-19-15-21-33-35(29)25-31(23-27(3)4)37(33)39(7,8)38-32(24-28(5)6)26-36-30(18-14-12-10-2)20-16-22-34(36)38/h15-16,19-22,25-28,37-38H,9-14,17-18,23-24H2,1-8H3
InChIKeyFLMSVMWWEDNIRX-UHFFFAOYSA-N
XLogP11.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.88
LogP ≤ 511.93
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

2-fluoro-1-(2-methylpropyl)-3-pentylbenzene
CID 173291771
2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
2-decyl-3-(2-methylpropyl)phenol
CID 159869445
2-tert-butyl-3-nonylphenol
CID 150872346
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene
CID 139962779
2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene
CID 139962907

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene?
The IUPAC name of 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene (CID 139962811) is 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene.
What is the SMILES notation for 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene?
The canonical SMILES for 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene is CCCCCc1cccc2c1C=C(CC(C)C)C2C(C)(C)C1C(CC(C)C)=Cc2c(CCCCC)cccc21.
What is the InChIKey of 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene?
The InChIKey is FLMSVMWWEDNIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H56/c1-9-11-13-17-29-19-15-21-33-35(29)25-31(23-27(3)4)37(33)39(7,8)38-32(24-28(5)6)26-36-30(18-14-12-10-2)20-16-22-34(36)38/h15-16,19-22,25-28,37-38H,9-14,17-18,23-24H2,1-8H3.
What are the key properties of 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene?
2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene has a molecular weight of 524.88 g/mol, XLogP of 11.93, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene is sourced from PubChem (CID 139962811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).