(7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane

C42H34O4P2 — CID 126512887

IUPAC(7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3c4c2-c2c(P(c5ccccc5)c5ccccc5)ccc5c2OC(CCCCC(O3)O4)O5)cc1
InChIInChI=1S/C42H34O4P2/c1-5-15-29(16-6-1)47(30-17-7-2-8-18-30)35-27-25-33-41-39(35)40-36(48(31-19-9-3-10-20-31)32-21-11-4-12-22-32)28-26-34-42(40)46-38(44-34)24-14-13-23-37(43-33)45-41/h1-12,15-22,25-28,37-38H,13-14,23-24H2
InChIKeyAVKQTCWMADNZHN-UHFFFAOYSA-N
MW664.68 g/mol
LogP7.64
Rot. Bonds6

About (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane

(7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane (PubChem CID 126512887) has the molecular formula C42H34O4P2 and a molecular weight of 664.68 g/mol. Its IUPAC name is (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane.

Molecular Properties

Compound Name(7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane
PubChem CID126512887
Molecular FormulaC42H34O4P2
Molecular Weight664.68 g/mol
Exact Mass664.19
IUPAC Name(7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3c4c2-c2c(P(c5ccccc5)c5ccccc5)ccc5c2OC(CCCCC(O3)O4)O5)cc1
InChIInChI=1S/C42H34O4P2/c1-5-15-29(16-6-1)47(30-17-7-2-8-18-30)35-27-25-33-41-39(35)40-36(48(31-19-9-3-10-20-31)32-21-11-4-12-22-32)28-26-34-42(40)46-38(44-34)24-14-13-23-37(43-33)45-41/h1-12,15-22,25-28,37-38H,13-14,23-24H2
InChIKeyAVKQTCWMADNZHN-UHFFFAOYSA-N
XLogP7.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.68
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-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

[2-(2-bicyclo[2.2.1]hept-5-enyl)-4-[2-(2-bicyclo[2.2.1]hept-5-enyl)-5-diphenylphosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane
CID 88878285
diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
CID 134839910
acetic acid;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium
CID 71310596
bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride
CID 175687646
[4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane
CID 144514545
[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride
CID 51001061
[8-(7-diphenylphosphanyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-diphenylphosphane
CID 138623605
(22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane
CID 127262679
CID 16744161
CID 16744161
dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 118856545
N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
CID 139747462
[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane
CID 159402940

Frequently Asked Questions

What is the IUPAC name of (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane?
The IUPAC name of (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane (CID 126512887) is (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane.
What is the SMILES notation for (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane?
The canonical SMILES for (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc3c4c2-c2c(P(c5ccccc5)c5ccccc5)ccc5c2OC(CCCCC(O3)O4)O5)cc1.
What is the InChIKey of (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane?
The InChIKey is AVKQTCWMADNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O4P2/c1-5-15-29(16-6-1)47(30-17-7-2-8-18-30)35-27-25-33-41-39(35)40-36(48(31-19-9-3-10-20-31)32-21-11-4-12-22-32)28-26-34-42(40)46-38(44-34)24-14-13-23-37(43-33)45-41/h1-12,15-22,25-28,37-38H,13-14,23-24H2.
What are the key properties of (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane?
(7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane has a molecular weight of 664.68 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane is sourced from PubChem (CID 126512887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).