9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole

C48H32NO2P — CID 163913578

IUPAC9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cccc2c1oc1cccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c12
InChIInChI=1S/C48H32NO2P/c50-52(35-18-6-2-7-19-35,36-20-8-3-9-21-36)46-29-13-11-23-38(46)39-24-14-25-40-47-44(27-15-28-45(47)51-48(39)40)49-42-26-12-10-22-37(42)41-32-34(30-31-43(41)49)33-16-4-1-5-17-33/h1-32H
InChIKeyQUHKEELMVCNJHD-UHFFFAOYSA-N
MW685.76 g/mol
LogP11.66
Rot. Bonds6

About 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole

9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole (PubChem CID 163913578) has the molecular formula C48H32NO2P and a molecular weight of 685.76 g/mol. Its IUPAC name is 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole
PubChem CID163913578
Molecular FormulaC48H32NO2P
Molecular Weight685.76 g/mol
Exact Mass685.22
IUPAC Name9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cccc2c1oc1cccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c12
InChIInChI=1S/C48H32NO2P/c50-52(35-18-6-2-7-19-35,36-20-8-3-9-21-36)46-29-13-11-23-38(46)39-24-14-25-40-47-44(27-15-28-45(47)51-48(39)40)49-42-26-12-10-22-37(42)41-32-34(30-31-43(41)49)33-16-4-1-5-17-33/h1-32H
InChIKeyQUHKEELMVCNJHD-UHFFFAOYSA-N
XLogP11.66
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.76
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-[phenyl-[3-(3-phenylphenyl)phenyl]phosphoryl]carbazole;9-dibenzofuran-2-yl-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]carbazole;3-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 159899948
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100

Frequently Asked Questions

What is the IUPAC name of 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole?
The IUPAC name of 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole (CID 163913578) is 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole is O=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cccc2c1oc1cccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c12.
What is the InChIKey of 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole?
The InChIKey is QUHKEELMVCNJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32NO2P/c50-52(35-18-6-2-7-19-35,36-20-8-3-9-21-36)46-29-13-11-23-38(46)39-24-14-25-40-47-44(27-15-28-45(47)51-48(39)40)49-42-26-12-10-22-37(42)41-32-34(30-31-43(41)49)33-16-4-1-5-17-33/h1-32H.
What are the key properties of 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole?
9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole has a molecular weight of 685.76 g/mol, XLogP of 11.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole is sourced from PubChem (CID 163913578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).