9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole

C35H25N2OP — CID 102197323

IUPAC9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc1
InChIInChI=1S/C35H25N2OP/c38-39(28-14-3-1-4-15-28,29-16-5-2-6-17-29)30-22-23-33(36-25-30)26-12-11-13-27(24-26)37-34-20-9-7-18-31(34)32-19-8-10-21-35(32)37/h1-25H
InChIKeyJBCWSMRAOGKXSX-UHFFFAOYSA-N
MW520.57 g/mol
LogP7.49
Rot. Bonds5

About 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole

9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole (PubChem CID 102197323) has the molecular formula C35H25N2OP and a molecular weight of 520.57 g/mol. Its IUPAC name is 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole
PubChem CID102197323
Molecular FormulaC35H25N2OP
Molecular Weight520.57 g/mol
Exact Mass520.17
IUPAC Name9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc1
InChIInChI=1S/C35H25N2OP/c38-39(28-14-3-1-4-15-28,29-16-5-2-6-17-29)30-22-23-33(36-25-30)26-12-11-13-27(24-26)37-34-20-9-7-18-31(34)32-19-8-10-21-35(32)37/h1-25H
InChIKeyJBCWSMRAOGKXSX-UHFFFAOYSA-N
XLogP7.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 57.49
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

3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-(5-cyano-2-pyridinyl)phenyl]carbazole-3-carbonitrile
CID 146543206
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
9-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258073

Frequently Asked Questions

What is the IUPAC name of 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole?
The IUPAC name of 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole (CID 102197323) is 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole?
The canonical SMILES for 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc1.
What is the InChIKey of 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole?
The InChIKey is JBCWSMRAOGKXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N2OP/c38-39(28-14-3-1-4-15-28,29-16-5-2-6-17-29)30-22-23-33(36-25-30)26-12-11-13-27(24-26)37-34-20-9-7-18-31(34)32-19-8-10-21-35(32)37/h1-25H.
What are the key properties of 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole?
9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole has a molecular weight of 520.57 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5-diphenylphosphoryl-2-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 102197323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).