2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene

C29H36 — CID 18462186

IUPAC2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene
SMILESCCc1ccc(CC)c2c1C=C(CCCC1=Cc3c(CC)ccc(CC)c3C1)C2
InChIInChI=1S/C29H36/c1-5-22-12-13-23(6-2)27-17-20(16-26(22)27)10-9-11-21-18-28-24(7-3)14-15-25(8-4)29(28)19-21/h12-16,18H,5-11,17,19H2,1-4H3
InChIKeyJPCFJLYYFBTEKF-UHFFFAOYSA-N
MW384.61 g/mol
LogP7.69
Rot. Bonds8

About 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene

2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene (PubChem CID 18462186) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene.

Molecular Properties

Compound Name2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene
PubChem CID18462186
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene
SMILESCCc1ccc(CC)c2c1C=C(CCCC1=Cc3c(CC)ccc(CC)c3C1)C2
InChIInChI=1S/C29H36/c1-5-22-12-13-23(6-2)27-17-20(16-26(22)27)10-9-11-21-18-28-24(7-3)14-15-25(8-4)29(28)19-21/h12-16,18H,5-11,17,19H2,1-4H3
InChIKeyJPCFJLYYFBTEKF-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene?
The IUPAC name of 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene (CID 18462186) is 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene.
What is the SMILES notation for 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene?
The canonical SMILES for 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene is CCc1ccc(CC)c2c1C=C(CCCC1=Cc3c(CC)ccc(CC)c3C1)C2.
What is the InChIKey of 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene?
The InChIKey is JPCFJLYYFBTEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36/c1-5-22-12-13-23(6-2)27-17-20(16-26(22)27)10-9-11-21-18-28-24(7-3)14-15-25(8-4)29(28)19-21/h12-16,18H,5-11,17,19H2,1-4H3.
What are the key properties of 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene?
2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene has a molecular weight of 384.61 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,7-diethyl-1H-inden-2-yl)propyl]-4,7-diethyl-1H-indene is sourced from PubChem (CID 18462186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).