10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

C44H27O4P — CID 126501737

IUPAC10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2c1oc1c(-c3cc4c(c5ccccc35)Oc3ccc5ccccc5c3O4)cccc12
InChIInChI=1S/C44H27O4P/c45-49(29-14-3-1-4-15-29,30-16-5-2-6-17-30)40-24-12-23-35-34-21-11-22-36(41(34)48-44(35)40)37-27-39-43(33-20-10-9-19-32(33)37)46-38-26-25-28-13-7-8-18-31(28)42(38)47-39/h1-27H
InChIKeyWXUGVPJHIAORNP-UHFFFAOYSA-N
MW650.67 g/mol
LogP11.10
Rot. Bonds4

About 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (PubChem CID 126501737) has the molecular formula C44H27O4P and a molecular weight of 650.67 g/mol. Its IUPAC name is 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.

Molecular Properties

Compound Name10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
PubChem CID126501737
Molecular FormulaC44H27O4P
Molecular Weight650.67 g/mol
Exact Mass650.16
IUPAC Name10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2c1oc1c(-c3cc4c(c5ccccc35)Oc3ccc5ccccc5c3O4)cccc12
InChIInChI=1S/C44H27O4P/c45-49(29-14-3-1-4-15-29,30-16-5-2-6-17-30)40-24-12-23-35-34-21-11-22-36(41(34)48-44(35)40)37-27-39-43(33-20-10-9-19-32(33)37)46-38-26-25-28-13-7-8-18-31(28)42(38)47-39/h1-27H
InChIKeyWXUGVPJHIAORNP-UHFFFAOYSA-N
XLogP11.10
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.67
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene with MolForge

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Related Compounds

10-(6-diphenylphosphorylnaphthalen-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 126501789
10-(4-diphenylphosphorylnaphthalen-1-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
CID 126501723
2-(2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-10-yl)-6-diphenylphosphorylpyridine
CID 126501730
8-(7-diphenylphosphoryldibenzofuran-3-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene
CID 126501832
1-diphenylphosphorylnaphthalene
CID 11023927
8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
CID 166031069
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine
CID 118027817
4-(3-anthracen-9-ylphenyl)-6-diphenylphosphoryldibenzofuran;2-(10-diphenylphosphorylanthracen-9-yl)dibenzofuran;4-diphenylphosphoryl-6-naphthalen-1-yldibenzofuran;4-(3-diphenylphosphorylphenyl)dibenzofuran;6-diphenylphosphoryl-2-phenyldibenzofuran;2-diphenylphosphoryl-8-phenyldibenzothiophene;6-(3-diphenylphosphorylphenyl)-2-naphthalen-2-yldibenzofuran;4-diphenylphosphoryl-6-pyren-4-yldibenzofuran;methane
CID 162076794
benzo[a]oxanthren-5-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 126501773
9-bromobenzo[a]oxanthrene
CID 142294271

Frequently Asked Questions

What is the IUPAC name of 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The IUPAC name of 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (CID 126501737) is 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.
What is the SMILES notation for 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The canonical SMILES for 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is O=P(c1ccccc1)(c1ccccc1)c1cccc2c1oc1c(-c3cc4c(c5ccccc35)Oc3ccc5ccccc5c3O4)cccc12.
What is the InChIKey of 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The InChIKey is WXUGVPJHIAORNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27O4P/c45-49(29-14-3-1-4-15-29,30-16-5-2-6-17-30)40-24-12-23-35-34-21-11-22-36(41(34)48-44(35)40)37-27-39-43(33-20-10-9-19-32(33)37)46-38-26-25-28-13-7-8-18-31(28)42(38)47-39/h1-27H.
What are the key properties of 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene has a molecular weight of 650.67 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-diphenylphosphoryldibenzofuran-4-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is sourced from PubChem (CID 126501737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).