3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene

C38H48 — CID 22595440

IUPAC3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene
SMILESC1=C(C2CCCCCC2)c2ccccc2C1C1(C2C=C(C3CCCCCC3)c3ccccc32)CCCCC1
InChIInChI=1S/C38H48/c1-2-7-17-28(16-6-1)34-26-36(32-22-12-10-20-30(32)34)38(24-14-5-15-25-38)37-27-35(29-18-8-3-4-9-19-29)31-21-11-13-23-33(31)37/h10-13,20-23,26-29,36-37H,1-9,14-19,24-25H2
InChIKeyRVEZAOQYDMMTCY-UHFFFAOYSA-N
MW504.80 g/mol
LogP11.24
Rot. Bonds4

About 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene

3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene (PubChem CID 22595440) has the molecular formula C38H48 and a molecular weight of 504.80 g/mol. Its IUPAC name is 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene.

Molecular Properties

Compound Name3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene
PubChem CID22595440
Molecular FormulaC38H48
Molecular Weight504.80 g/mol
Exact Mass504.38
IUPAC Name3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene
SMILESC1=C(C2CCCCCC2)c2ccccc2C1C1(C2C=C(C3CCCCCC3)c3ccccc32)CCCCC1
InChIInChI=1S/C38H48/c1-2-7-17-28(16-6-1)34-26-36(32-22-12-10-20-30(32)34)38(24-14-5-15-25-38)37-27-35(29-18-8-3-4-9-19-29)31-21-11-13-23-33(31)37/h10-13,20-23,26-29,36-37H,1-9,14-19,24-25H2
InChIKeyRVEZAOQYDMMTCY-UHFFFAOYSA-N
XLogP11.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.80
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene?
The IUPAC name of 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene (CID 22595440) is 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene.
What is the SMILES notation for 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene?
The canonical SMILES for 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene is C1=C(C2CCCCCC2)c2ccccc2C1C1(C2C=C(C3CCCCCC3)c3ccccc32)CCCCC1.
What is the InChIKey of 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene?
The InChIKey is RVEZAOQYDMMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48/c1-2-7-17-28(16-6-1)34-26-36(32-22-12-10-20-30(32)34)38(24-14-5-15-25-38)37-27-35(29-18-8-3-4-9-19-29)31-21-11-13-23-33(31)37/h10-13,20-23,26-29,36-37H,1-9,14-19,24-25H2.
What are the key properties of 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene?
3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene has a molecular weight of 504.80 g/mol, XLogP of 11.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene is sourced from PubChem (CID 22595440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).