3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene

C23H19Cl — CID 135024717

IUPAC3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
SMILESCC1(C)C(c2ccccc2)=C(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C23H19Cl/c1-23(2)20-11-7-6-10-19(20)21(16-12-14-18(24)15-13-16)22(23)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyZKUWTFISJQJAFW-UHFFFAOYSA-N
MW330.86 g/mol
LogP6.59
Rot. Bonds2

About 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene

3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene (PubChem CID 135024717) has the molecular formula C23H19Cl and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
PubChem CID135024717
Molecular FormulaC23H19Cl
Molecular Weight330.86 g/mol
Exact Mass330.12
IUPAC Name3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
SMILESCC1(C)C(c2ccccc2)=C(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C23H19Cl/c1-23(2)20-11-7-6-10-19(20)21(16-12-14-18(24)15-13-16)22(23)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyZKUWTFISJQJAFW-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 56.59
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

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CID 118193752
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
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1,1-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-phenylindene
CID 135024724
1-(iodomethyl)-1-methyl-2,3-diphenylindene
CID 102347889
4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
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2',3'-diphenylspiro[dioxirane-3,1'-indene]
CID 57211511
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CID 25135457
3-(4-chlorophenyl)-7,7-dimethylbenzo[a]phenalene
CID 175136374
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene
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9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene?
The IUPAC name of 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene (CID 135024717) is 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene.
What is the SMILES notation for 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene?
The canonical SMILES for 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene is CC1(C)C(c2ccccc2)=C(c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene?
The InChIKey is ZKUWTFISJQJAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl/c1-23(2)20-11-7-6-10-19(20)21(16-12-14-18(24)15-13-16)22(23)17-8-4-3-5-9-17/h3-15H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene?
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene has a molecular weight of 330.86 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene is sourced from PubChem (CID 135024717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).