1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane

C49H66O2P2 — CID 160886061

IUPAC1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane
SMILESCC.CC.CC.CC.CC.CC.O=P(c1ccccc1)(c1ccccc1)c1ccc(Cc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C37H30O2P2.6C2H6/c38-40(32-13-5-1-6-14-32,33-15-7-2-8-16-33)36-25-21-30(22-26-36)29-31-23-27-37(28-24-31)41(39,34-17-9-3-10-18-34)35-19-11-4-12-20-35;6*1-2/h1-28H,29H2;6*1-2H3
InChIKeySNQNIXWNTNZBFZ-UHFFFAOYSA-N
MW749.01 g/mol
LogP12.71
Rot. Bonds8

About 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane

1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane (PubChem CID 160886061) has the molecular formula C49H66O2P2 and a molecular weight of 749.01 g/mol. Its IUPAC name is 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane.

Molecular Properties

Compound Name1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane
PubChem CID160886061
Molecular FormulaC49H66O2P2
Molecular Weight749.01 g/mol
Exact Mass748.45
IUPAC Name1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane
SMILESCC.CC.CC.CC.CC.CC.O=P(c1ccccc1)(c1ccccc1)c1ccc(Cc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C37H30O2P2.6C2H6/c38-40(32-13-5-1-6-14-32,33-15-7-2-8-16-33)36-25-21-30(22-26-36)29-31-23-27-37(28-24-31)41(39,34-17-9-3-10-18-34)35-19-11-4-12-20-35;6*1-2/h1-28H,29H2;6*1-2H3
InChIKeySNQNIXWNTNZBFZ-UHFFFAOYSA-N
XLogP12.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.01
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3,5-bis(diphenylphosphoryl)phenyl]methyl]-3,5-bis(diphenylphosphoryl)benzene
CID 58298983
1,4-dibenzylbenzene;ethane
CID 91406396
diphenylphosphorylbenzene;terbium
CID 86595283
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-diphenylphosphoryl-4-octylbenzene
CID 154968938
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
diphenylphosphorylbenzene;oxirene
CID 174881764
benzylbenzene;phosphoric acid
CID 161249494
1-diphenylphosphoryl-4-phenylmethoxybenzene
CID 86086109
benzylbenzene;ethane;methanamine
CID 54117827

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane?
The IUPAC name of 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane (CID 160886061) is 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane.
What is the SMILES notation for 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane?
The canonical SMILES for 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane is CC.CC.CC.CC.CC.CC.O=P(c1ccccc1)(c1ccccc1)c1ccc(Cc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane?
The InChIKey is SNQNIXWNTNZBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O2P2.6C2H6/c38-40(32-13-5-1-6-14-32,33-15-7-2-8-16-33)36-25-21-30(22-26-36)29-31-23-27-37(28-24-31)41(39,34-17-9-3-10-18-34)35-19-11-4-12-20-35;6*1-2/h1-28H,29H2;6*1-2H3.
What are the key properties of 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane?
1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane has a molecular weight of 749.01 g/mol, XLogP of 12.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane is sourced from PubChem (CID 160886061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).