1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene

C28H22Cl2 — CID 11732715

IUPAC1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene
SMILESCC1(c2ccccc2Cl)CC(c2ccccc2)(c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C28H22Cl2/c1-27(23-15-7-9-17-25(23)29)19-28(20-11-3-2-4-12-20,22-14-6-5-13-21(22)27)24-16-8-10-18-26(24)30/h2-18H,19H2,1H3
InChIKeyFHZRUPTZBGEIBW-UHFFFAOYSA-N
MW429.39 g/mol
LogP8.04
Rot. Bonds3

About 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene

1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene (PubChem CID 11732715) has the molecular formula C28H22Cl2 and a molecular weight of 429.39 g/mol. Its IUPAC name is 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene.

Molecular Properties

Compound Name1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene
PubChem CID11732715
Molecular FormulaC28H22Cl2
Molecular Weight429.39 g/mol
Exact Mass428.11
IUPAC Name1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene
SMILESCC1(c2ccccc2Cl)CC(c2ccccc2)(c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C28H22Cl2/c1-27(23-15-7-9-17-25(23)29)19-28(20-11-3-2-4-12-20,22-14-6-5-13-21(22)27)24-16-8-10-18-26(24)30/h2-18H,19H2,1H3
InChIKeyFHZRUPTZBGEIBW-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.39
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene?
The IUPAC name of 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene (CID 11732715) is 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene.
What is the SMILES notation for 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene?
The canonical SMILES for 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene is CC1(c2ccccc2Cl)CC(c2ccccc2)(c2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene?
The InChIKey is FHZRUPTZBGEIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2/c1-27(23-15-7-9-17-25(23)29)19-28(20-11-3-2-4-12-20,22-14-6-5-13-21(22)27)24-16-8-10-18-26(24)30/h2-18H,19H2,1H3.
What are the key properties of 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene?
1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene has a molecular weight of 429.39 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-chlorophenyl)-1-methyl-3-phenyl-2H-indene is sourced from PubChem (CID 11732715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).