2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene

C30H22 — CID 173161752

IUPAC2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene
SMILESC1=CC2=CC(c3ccccc3-c3ccccc3C3=Cc4ccccc4C3)=CC2C=C1
InChIInChI=1S/C30H22/c1-2-10-22-18-25(17-21(22)9-1)27-13-5-7-15-29(27)30-16-8-6-14-28(30)26-19-23-11-3-4-12-24(23)20-26/h1-19,21H,20H2
InChIKeyOBQLTNPCKCOQAB-UHFFFAOYSA-N
MW382.51 g/mol
LogP7.52
Rot. Bonds3

About 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene

2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene (PubChem CID 173161752) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene.

Molecular Properties

Compound Name2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene
PubChem CID173161752
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene
SMILESC1=CC2=CC(c3ccccc3-c3ccccc3C3=Cc4ccccc4C3)=CC2C=C1
InChIInChI=1S/C30H22/c1-2-10-22-18-25(17-21(22)9-1)27-13-5-7-15-29(27)30-16-8-6-14-28(30)26-19-23-11-3-4-12-24(23)20-26/h1-19,21H,20H2
InChIKeyOBQLTNPCKCOQAB-UHFFFAOYSA-N
XLogP7.52
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 ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene;hafnium;dichloride
CID 173244135
2-[2-(3aH-inden-2-yl)ethyl]-1H-indene
CID 173243357
2-(2-methylsulfanylphenyl)-3aH-indene
CID 155004155
2-[2-(1H-inden-2-yl)phenyl]benzaldehyde
CID 175687108
2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene
CID 161212545
2-(3aH-inden-2-yl)pyridine;ethane
CID 91435728
9H-cyclopenta[b]naphthalene
CID 66779977
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
3-(1H-inden-2-yl)-1H-inden-2-ol
CID 20693143
8,9-dimethyltricyclo[8.4.1.02,7]pentadeca-2,4,6,8,10(15),11,13-heptaene
CID 143289408
1-(1H-inden-2-yl)-1,3a-dihydroazulene
CID 173121614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene?
The IUPAC name of 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene (CID 173161752) is 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene.
What is the SMILES notation for 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene?
The canonical SMILES for 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene is C1=CC2=CC(c3ccccc3-c3ccccc3C3=Cc4ccccc4C3)=CC2C=C1.
What is the InChIKey of 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene?
The InChIKey is OBQLTNPCKCOQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-2-10-22-18-25(17-21(22)9-1)27-13-5-7-15-29(27)30-16-8-6-14-28(30)26-19-23-11-3-4-12-24(23)20-26/h1-19,21H,20H2.
What are the key properties of 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene?
2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene has a molecular weight of 382.51 g/mol, XLogP of 7.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene is sourced from PubChem (CID 173161752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).