2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]

C49H31O2P — CID 153483754

IUPAC2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3oc4cc5c(cc4c3c2)-c2ccccc2C52c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C49H31O2P/c50-52(34-13-3-1-4-14-34,35-15-5-2-6-16-35)36-26-23-32(24-27-36)33-25-28-47-41(29-33)42-30-40-39-19-9-12-22-45(39)49(46(40)31-48(42)51-47)43-20-10-7-17-37(43)38-18-8-11-21-44(38)49/h1-31H
InChIKeyWUUWNZMFSFPCTH-UHFFFAOYSA-N
MW682.76 g/mol
LogP11.24
Rot. Bonds4

About 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]

2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] (PubChem CID 153483754) has the molecular formula C49H31O2P and a molecular weight of 682.76 g/mol. Its IUPAC name is 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran].

Molecular Properties

Compound Name2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
PubChem CID153483754
Molecular FormulaC49H31O2P
Molecular Weight682.76 g/mol
Exact Mass682.21
IUPAC Name2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3oc4cc5c(cc4c3c2)-c2ccccc2C52c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C49H31O2P/c50-52(34-13-3-1-4-14-34,35-15-5-2-6-16-35)36-26-23-32(24-27-36)33-25-28-47-41(29-33)42-30-40-39-19-9-12-22-45(39)49(46(40)31-48(42)51-47)43-20-10-7-17-37(43)38-18-8-11-21-44(38)49/h1-31H
InChIKeyWUUWNZMFSFPCTH-UHFFFAOYSA-N
XLogP11.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.76
LogP ≤ 511.24
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

2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388643
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)quinoline
CID 153483758
3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483785
CID 129023365
CID 129023365
6-(4-diphenylphosphorylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138650767
21-[4-(4-diphenylphosphorylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 164737333
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
CID 129023259
CID 129023259

Frequently Asked Questions

What is the IUPAC name of 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The IUPAC name of 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] (CID 153483754) is 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran].
What is the SMILES notation for 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The canonical SMILES for 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3oc4cc5c(cc4c3c2)-c2ccccc2C52c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The InChIKey is WUUWNZMFSFPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31O2P/c50-52(34-13-3-1-4-14-34,35-15-5-2-6-16-35)36-26-23-32(24-27-36)33-25-28-47-41(29-33)42-30-40-39-19-9-12-22-45(39)49(46(40)31-48(42)51-47)43-20-10-7-17-37(43)38-18-8-11-21-44(38)49/h1-31H.
What are the key properties of 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] has a molecular weight of 682.76 g/mol, XLogP of 11.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] is sourced from PubChem (CID 153483754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).