[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane

C28H23P — CID 173242054

IUPAC[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane
SMILESCC1=Cc2c(cccc2-c2cccc(P(c3ccccc3)c3ccccc3)c2)C1
InChIInChI=1S/C28H23P/c1-21-18-22-11-9-17-27(28(22)19-21)23-10-8-16-26(20-23)29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-17,19-20H,18H2,1H3
InChIKeySEIATBPHXQZBQU-UHFFFAOYSA-N
MW390.47 g/mol
LogP6.07
Rot. Bonds4

About [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane

[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane (PubChem CID 173242054) has the molecular formula C28H23P and a molecular weight of 390.47 g/mol. Its IUPAC name is [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane
PubChem CID173242054
Molecular FormulaC28H23P
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC Name[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane
SMILESCC1=Cc2c(cccc2-c2cccc(P(c3ccccc3)c3ccccc3)c2)C1
InChIInChI=1S/C28H23P/c1-21-18-22-11-9-17-27(28(22)19-21)23-10-8-16-26(20-23)29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-17,19-20H,18H2,1H3
InChIKeySEIATBPHXQZBQU-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(3-phenylphenyl)-1H-indene
CID 18008269
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
dimethylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-indene);dichloride
CID 173107373
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene
CID 175439244
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
4-(2,3-dimethylphenyl)-2-methyl-1H-indene
CID 22259782
N,N-dimethyl-4-phenyl-1H-inden-2-amine
CID 151077221
4-(2-methylphenyl)-2-phenyl-1H-indene
CID 87905958
dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene
CID 174528512
trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium
CID 173242398

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane?
The IUPAC name of [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane (CID 173242054) is [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane is CC1=Cc2c(cccc2-c2cccc(P(c3ccccc3)c3ccccc3)c2)C1.
What is the InChIKey of [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane?
The InChIKey is SEIATBPHXQZBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23P/c1-21-18-22-11-9-17-27(28(22)19-21)23-10-8-16-26(20-23)29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-17,19-20H,18H2,1H3.
What are the key properties of [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane?
[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane has a molecular weight of 390.47 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 173242054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).