9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole

C32H24N3OP — CID 121245443

IUPAC9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cnc(P(=O)(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C32H24N3OP/c1-3-23-15-17-30-28(19-23)29-20-24(4-2)16-18-31(29)35(30)25-21-33-32(34-22-25)37(36,26-11-7-5-8-12-26)27-13-9-6-10-14-27/h3-22H,1-2H2
InChIKeyBAQBUYLLMPLGHX-UHFFFAOYSA-N
MW497.54 g/mol
LogP6.50
Rot. Bonds6

About 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole

9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole (PubChem CID 121245443) has the molecular formula C32H24N3OP and a molecular weight of 497.54 g/mol. Its IUPAC name is 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole.

Molecular Properties

Compound Name9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole
PubChem CID121245443
Molecular FormulaC32H24N3OP
Molecular Weight497.54 g/mol
Exact Mass497.17
IUPAC Name9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cnc(P(=O)(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C32H24N3OP/c1-3-23-15-17-30-28(19-23)29-20-24(4-2)16-18-31(29)35(30)25-21-33-32(34-22-25)37(36,26-11-7-5-8-12-26)27-13-9-6-10-14-27/h3-22H,1-2H2
InChIKeyBAQBUYLLMPLGHX-UHFFFAOYSA-N
XLogP6.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.54
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole?
The IUPAC name of 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole (CID 121245443) is 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole.
What is the SMILES notation for 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole?
The canonical SMILES for 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole is C=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cnc(P(=O)(c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole?
The InChIKey is BAQBUYLLMPLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N3OP/c1-3-23-15-17-30-28(19-23)29-20-24(4-2)16-18-31(29)35(30)25-21-33-32(34-22-25)37(36,26-11-7-5-8-12-26)27-13-9-6-10-14-27/h3-22H,1-2H2.
What are the key properties of 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole?
9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole has a molecular weight of 497.54 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-diphenylphosphorylpyrimidin-5-yl)-3,6-bis(ethenyl)carbazole is sourced from PubChem (CID 121245443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).