(18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane

C40H34O2P2 — CID 10651337

IUPAC(18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCO3)cc1
InChIInChI=1S/C40H34O2P2/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,15-28H,13-14,29-30H2
InChIKeySILYLKHINIIMMN-UHFFFAOYSA-N
MW608.66 g/mol
LogP7.42
Rot. Bonds6

About (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane

(18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane (PubChem CID 10651337) has the molecular formula C40H34O2P2 and a molecular weight of 608.66 g/mol. Its IUPAC name is (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane.

Molecular Properties

Compound Name(18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane
PubChem CID10651337
Molecular FormulaC40H34O2P2
Molecular Weight608.66 g/mol
Exact Mass608.20
IUPAC Name(18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCO3)cc1
InChIInChI=1S/C40H34O2P2/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,15-28H,13-14,29-30H2
InChIKeySILYLKHINIIMMN-UHFFFAOYSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.66
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
CID 636044
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734
1-(Benzyloxy)-2-(2-phenylethyl)benzene
CID 11973811
R-(-)-1,13-Bis(diphenylphosphino)-7,8-dihydro-6H-dibenzo(f,h)(1,5)dioxonin
CID 10722198
Trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide
CID 57341287
[4-[4-[[Diphenyl(propyl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propylphosphanium dibromide
CID 57342168
[4-[4-[[Diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide
CID 57342172
(4-Methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]phenoxy]phenyl]methyl]-diphenylphosphanium dibromide
CID 57342340
Tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide
CID 57342681
Tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57342683
Tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57343190

Frequently Asked Questions

What is the IUPAC name of (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane?
The IUPAC name of (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane (CID 10651337) is (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane.
What is the SMILES notation for (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane?
The canonical SMILES for (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCO3)cc1.
What is the InChIKey of (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane?
The InChIKey is SILYLKHINIIMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O2P2/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,15-28H,13-14,29-30H2.
What are the key properties of (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane?
(18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane has a molecular weight of 608.66 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane is sourced from PubChem (CID 10651337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).