diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane

C33H31P — CID 139996224

IUPACdiphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane
SMILESCC1=C(C)C(C)C(c2ccc(-c3ccccc3)cc2P(c2ccccc2)c2ccccc2)=C1C
InChIInChI=1S/C33H31P/c1-23-24(2)26(4)33(25(23)3)31-21-20-28(27-14-8-5-9-15-27)22-32(31)34(29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-22,25H,1-4H3
InChIKeyYMEUTULVLCHAIE-UHFFFAOYSA-N
MW458.59 g/mol
LogP7.87
Rot. Bonds5

About diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane

diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane (PubChem CID 139996224) has the molecular formula C33H31P and a molecular weight of 458.59 g/mol. Its IUPAC name is diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane
PubChem CID139996224
Molecular FormulaC33H31P
Molecular Weight458.59 g/mol
Exact Mass458.22
IUPAC Namediphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane
SMILESCC1=C(C)C(C)C(c2ccc(-c3ccccc3)cc2P(c2ccccc2)c2ccccc2)=C1C
InChIInChI=1S/C33H31P/c1-23-24(2)26(4)33(25(23)3)31-21-20-28(27-14-8-5-9-15-27)22-32(31)34(29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-22,25H,1-4H3
InChIKeyYMEUTULVLCHAIE-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane?
The IUPAC name of diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane (CID 139996224) is diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane.
What is the SMILES notation for diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane?
The canonical SMILES for diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane is CC1=C(C)C(C)C(c2ccc(-c3ccccc3)cc2P(c2ccccc2)c2ccccc2)=C1C.
What is the InChIKey of diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane?
The InChIKey is YMEUTULVLCHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31P/c1-23-24(2)26(4)33(25(23)3)31-21-20-28(27-14-8-5-9-15-27)22-32(31)34(29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-22,25H,1-4H3.
What are the key properties of diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane?
diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane has a molecular weight of 458.59 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[5-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane is sourced from PubChem (CID 139996224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).