1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene

C30H22 — CID 141431215

IUPAC1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
SMILESC1=CC(c2ccccc2-c2ccccc2C2C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C30H22/c1-3-11-23-21(9-1)17-19-29(23)27-15-7-5-13-25(27)26-14-6-8-16-28(26)30-20-18-22-10-2-4-12-24(22)30/h1-20,29-30H
InChIKeyJFKVLXZGLXQCOP-UHFFFAOYSA-N
MW382.51 g/mol
LogP7.67
Rot. Bonds3

About 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene

1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene (PubChem CID 141431215) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene.

Molecular Properties

Compound Name1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
PubChem CID141431215
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
SMILESC1=CC(c2ccccc2-c2ccccc2C2C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C30H22/c1-3-11-23-21(9-1)17-19-29(23)27-15-7-5-13-25(27)26-14-6-8-16-28(26)30-20-18-22-10-2-4-12-24(22)30/h1-20,29-30H
InChIKeyJFKVLXZGLXQCOP-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene?
The IUPAC name of 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene (CID 141431215) is 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene.
What is the SMILES notation for 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene?
The canonical SMILES for 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene is C1=CC(c2ccccc2-c2ccccc2C2C=Cc3ccccc32)c2ccccc21.
What is the InChIKey of 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene?
The InChIKey is JFKVLXZGLXQCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-3-11-23-21(9-1)17-19-29(23)27-15-7-5-13-25(27)26-14-6-8-16-28(26)30-20-18-22-10-2-4-12-24(22)30/h1-20,29-30H.
What are the key properties of 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene?
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene has a molecular weight of 382.51 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene is sourced from PubChem (CID 141431215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).