2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole

C30H21N2OP — CID 175356190

IUPAC2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole
SMILESO=P(c1ccccc1)(c1ccc2c(c1)[nH]c1ccccc12)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C30H21N2OP/c33-34(20-8-2-1-3-9-20,21-14-16-25-23-10-4-6-12-27(23)31-29(25)18-21)22-15-17-26-24-11-5-7-13-28(24)32-30(26)19-22/h1-19,31-32H
InChIKeyULIVCSOOIVFAHD-UHFFFAOYSA-N
MW456.49 g/mol
LogP6.59
Rot. Bonds3

About 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole

2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole (PubChem CID 175356190) has the molecular formula C30H21N2OP and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole.

Molecular Properties

Compound Name2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole
PubChem CID175356190
Molecular FormulaC30H21N2OP
Molecular Weight456.49 g/mol
Exact Mass456.14
IUPAC Name2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole
SMILESO=P(c1ccccc1)(c1ccc2c(c1)[nH]c1ccccc12)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C30H21N2OP/c33-34(20-8-2-1-3-9-20,21-14-16-25-23-10-4-6-12-27(23)31-29(25)18-21)22-15-17-26-24-11-5-7-13-28(24)32-30(26)19-22/h1-19,31-32H
InChIKeyULIVCSOOIVFAHD-UHFFFAOYSA-N
XLogP6.59
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole
CID 156587859
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole
CID 66668984
3-diphenylphosphorylphenanthrene
CID 170944174
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphoryl]-6-diphenylphosphoryl-9H-carbazole
CID 145178902
9H-carbazole;carbonic acid
CID 67577328
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
3-diphenylphosphorylhexahelicene
CID 10896698
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
bis(9H-carbazole);ethane
CID 145072085

Frequently Asked Questions

What is the IUPAC name of 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole?
The IUPAC name of 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole (CID 175356190) is 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole.
What is the SMILES notation for 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole?
The canonical SMILES for 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole is O=P(c1ccccc1)(c1ccc2c(c1)[nH]c1ccccc12)c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole?
The InChIKey is ULIVCSOOIVFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N2OP/c33-34(20-8-2-1-3-9-20,21-14-16-25-23-10-4-6-12-27(23)31-29(25)18-21)22-15-17-26-24-11-5-7-13-28(24)32-30(26)19-22/h1-19,31-32H.
What are the key properties of 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole?
2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole has a molecular weight of 456.49 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole is sourced from PubChem (CID 175356190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).