(5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane

C38H30OP2 — CID 141077490

IUPAC(5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane
SMILESCc1ccc(P(c2ccccc2)c2ccccc2)c2c1Cc1cccc(P(c3ccccc3)c3ccccc3)c1O2
InChIInChI=1S/C38H30OP2/c1-28-25-26-36(41(32-20-10-4-11-21-32)33-22-12-5-13-23-33)38-34(28)27-29-15-14-24-35(37(29)39-38)40(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h2-26H,27H2,1H3
InChIKeyZWNUPCHZMZEMMQ-UHFFFAOYSA-N
MW564.61 g/mol
LogP7.21
Rot. Bonds6

About (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane

(5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane (PubChem CID 141077490) has the molecular formula C38H30OP2 and a molecular weight of 564.61 g/mol. Its IUPAC name is (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane.

Molecular Properties

Compound Name(5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane
PubChem CID141077490
Molecular FormulaC38H30OP2
Molecular Weight564.61 g/mol
Exact Mass564.18
IUPAC Name(5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane
SMILESCc1ccc(P(c2ccccc2)c2ccccc2)c2c1Cc1cccc(P(c3ccccc3)c3ccccc3)c1O2
InChIInChI=1S/C38H30OP2/c1-28-25-26-36(41(32-20-10-4-11-21-32)33-22-12-5-13-23-33)38-34(28)27-29-15-14-24-35(37(29)39-38)40(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h2-26H,27H2,1H3
InChIKeyZWNUPCHZMZEMMQ-UHFFFAOYSA-N
XLogP7.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.61
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane 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

(5-diphenylphosphanyl-1,2-dimethyl-9H-xanthen-4-yl)-diphenylphosphane
CID 87058834
(10-diphenylphosphanyl-5,6-dihydrobenzo[b][1]benzoxepin-1-yl)-methyl-diphenylphosphanium
CID 89282822
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 157063230
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
bis([1-[2-bis(3-methylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3-methylphenyl)phosphane);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 158761119
(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane
CID 11039191
[(1R,10S,14S)-12,20-dimethyl-2,22-dioxa-12-azapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16,18,20-hexaen-4-yl]-diphenylphosphane
CID 118360675
[(1S)-13-diphenylphosphanyl-2,11-dioxa-20-thiatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-diphenylphosphane
CID 155148911
phenyl-bis(2,3,4-trimethylphenyl)phosphane
CID 19817893
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502

Frequently Asked Questions

What is the IUPAC name of (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane?
The IUPAC name of (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane (CID 141077490) is (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane.
What is the SMILES notation for (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane?
The canonical SMILES for (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane is Cc1ccc(P(c2ccccc2)c2ccccc2)c2c1Cc1cccc(P(c3ccccc3)c3ccccc3)c1O2.
What is the InChIKey of (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane?
The InChIKey is ZWNUPCHZMZEMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30OP2/c1-28-25-26-36(41(32-20-10-4-11-21-32)33-22-12-5-13-23-33)38-34(28)27-29-15-14-24-35(37(29)39-38)40(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h2-26H,27H2,1H3.
What are the key properties of (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane?
(5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane has a molecular weight of 564.61 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane is sourced from PubChem (CID 141077490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).