6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline

C42H27N4OP — CID 134509238

IUPAC6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc2c3ccccc3n(-c3nc4ccccc4c4nc5ccccc5n34)c2c2ccccc12
InChIInChI=1S/C42H27N4OP/c47-48(28-15-3-1-4-16-28,29-17-5-2-6-18-29)39-27-34-30-19-10-13-25-37(30)45(40(34)32-21-8-7-20-31(32)39)42-44-35-23-11-9-22-33(35)41-43-36-24-12-14-26-38(36)46(41)42/h1-27H
InChIKeyMZQVCUJSVRATKV-UHFFFAOYSA-N
MW634.68 g/mol
LogP8.93
Rot. Bonds4

About 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline

6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline (PubChem CID 134509238) has the molecular formula C42H27N4OP and a molecular weight of 634.68 g/mol. Its IUPAC name is 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
PubChem CID134509238
Molecular FormulaC42H27N4OP
Molecular Weight634.68 g/mol
Exact Mass634.19
IUPAC Name6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc2c3ccccc3n(-c3nc4ccccc4c4nc5ccccc5n34)c2c2ccccc12
InChIInChI=1S/C42H27N4OP/c47-48(28-15-3-1-4-16-28,29-17-5-2-6-18-29)39-27-34-30-19-10-13-25-37(30)45(40(34)32-21-8-7-20-31(32)39)42-44-35-23-11-9-22-33(35)41-43-36-24-12-14-26-38(36)46(41)42/h1-27H
InChIKeyMZQVCUJSVRATKV-UHFFFAOYSA-N
XLogP8.93
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.68
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509181
6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509179
6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508964
6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508934
10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide
CID 134509006
6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508919
6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509221
6-(5-dibenzofuran-3-ylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
CID 134508953
6-[5-(1,10-phenanthrolin-3-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509014
24-[naphthalen-2-yl(phenyl)phosphoryl]-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3,5,7,9,11,13,15,18,20(25),21,23-dodecaene
CID 134336637
15-diphenylphosphoryl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24-dodecaene
CID 134336576
12-(3-diphenylphosphoryl-4-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 163414620

Frequently Asked Questions

What is the IUPAC name of 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline (CID 134509238) is 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline is O=P(c1ccccc1)(c1ccccc1)c1cc2c3ccccc3n(-c3nc4ccccc4c4nc5ccccc5n34)c2c2ccccc12.
What is the InChIKey of 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is MZQVCUJSVRATKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N4OP/c47-48(28-15-3-1-4-16-28,29-17-5-2-6-18-29)39-27-34-30-19-10-13-25-37(30)45(40(34)32-21-8-7-20-31(32)39)42-44-35-23-11-9-22-33(35)41-43-36-24-12-14-26-38(36)46(41)42/h1-27H.
What are the key properties of 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline?
6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 634.68 g/mol, XLogP of 8.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).