9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole

C34H26NOP — CID 121245445

IUPAC9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26NOP/c1-3-25-19-21-31-29(23-25)30-24-26(4-2)20-22-32(30)35(31)33-17-11-12-18-34(33)37(36,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h3-24H,1-2H2
InChIKeyKRNPEAIZOFVRQI-UHFFFAOYSA-N
MW495.56 g/mol
LogP7.71
Rot. Bonds6

About 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole

9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole (PubChem CID 121245445) has the molecular formula C34H26NOP and a molecular weight of 495.56 g/mol. Its IUPAC name is 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole.

Molecular Properties

Compound Name9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole
PubChem CID121245445
Molecular FormulaC34H26NOP
Molecular Weight495.56 g/mol
Exact Mass495.18
IUPAC Name9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26NOP/c1-3-25-19-21-31-29(23-25)30-24-26(4-2)20-22-32(30)35(31)33-17-11-12-18-34(33)37(36,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h3-24H,1-2H2
InChIKeyKRNPEAIZOFVRQI-UHFFFAOYSA-N
XLogP7.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.56
LogP ≤ 57.71
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

9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole
CID 121245443
9-[6-(2-diphenylphosphorylphenyl)dibenzofuran-1-yl]-3-phenylcarbazole
CID 163913578
9-(1-benzofuran-4-yl)-3-diphenylphosphorylcarbazole
CID 87159765
3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
CID 87159646
9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole
CID 102198373
9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
CID 121245405
3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 139517794
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
2-ethenyl-5,10-dimethylphenazine
CID 22055360
4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 155015689
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905

Frequently Asked Questions

What is the IUPAC name of 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole?
The IUPAC name of 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole (CID 121245445) is 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole.
What is the SMILES notation for 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole?
The canonical SMILES for 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole is C=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole?
The InChIKey is KRNPEAIZOFVRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26NOP/c1-3-25-19-21-31-29(23-25)30-24-26(4-2)20-22-32(30)35(31)33-17-11-12-18-34(33)37(36,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h3-24H,1-2H2.
What are the key properties of 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole?
9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole has a molecular weight of 495.56 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-diphenylphosphorylphenyl)-3,6-bis(ethenyl)carbazole is sourced from PubChem (CID 121245445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).