(1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene

C36H26 — CID 139039529

IUPAC(1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene
SMILESc1ccc(C2=C(C3=C(c4ccccc4)c4ccccc4[C@@H]3c3ccccc3)Cc3ccccc32)cc1
InChIInChI=1S/C36H26/c1-4-14-25(15-5-1)33-29-21-11-10-20-28(29)24-32(33)36-34(26-16-6-2-7-17-26)30-22-12-13-23-31(30)35(36)27-18-8-3-9-19-27/h1-23,34H,24H2/t34-/m0/s1
InChIKeyFOXFSIXCIWJHQN-UMSFTDKQSA-N
MW458.60 g/mol
LogP8.69
Rot. Bonds4

About (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene

(1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene (PubChem CID 139039529) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene.

Molecular Properties

Compound Name(1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene
PubChem CID139039529
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name(1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene
SMILESc1ccc(C2=C(C3=C(c4ccccc4)c4ccccc4[C@@H]3c3ccccc3)Cc3ccccc32)cc1
InChIInChI=1S/C36H26/c1-4-14-25(15-5-1)33-29-21-11-10-20-28(29)24-32(33)36-34(26-16-6-2-7-17-26)30-22-12-13-23-31(30)35(36)27-18-8-3-9-19-27/h1-23,34H,24H2/t34-/m0/s1
InChIKeyFOXFSIXCIWJHQN-UMSFTDKQSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene?
The IUPAC name of (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene (CID 139039529) is (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene.
What is the SMILES notation for (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene?
The canonical SMILES for (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene is c1ccc(C2=C(C3=C(c4ccccc4)c4ccccc4[C@@H]3c3ccccc3)Cc3ccccc32)cc1.
What is the InChIKey of (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene?
The InChIKey is FOXFSIXCIWJHQN-UMSFTDKQSA-N. The full InChI is InChI=1S/C36H26/c1-4-14-25(15-5-1)33-29-21-11-10-20-28(29)24-32(33)36-34(26-16-6-2-7-17-26)30-22-12-13-23-31(30)35(36)27-18-8-3-9-19-27/h1-23,34H,24H2/t34-/m0/s1.
What are the key properties of (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene?
(1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene has a molecular weight of 458.60 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,3-diphenyl-2-(3-phenyl-1H-inden-2-yl)-1H-indene is sourced from PubChem (CID 139039529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).