6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C50H33N4OP — CID 134509181

IUPAC6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESO=P(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3nc4ccccc4c4nc5ccccc5n34)c2c1
InChIInChI=1S/C50H33N4OP/c55-56(38-27-23-36(24-28-38)34-13-3-1-4-14-34,39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-42-41-17-8-11-21-46(41)53(48(42)33-40)50-52-44-19-9-7-18-43(44)49-51-45-20-10-12-22-47(45)54(49)50/h1-33H
InChIKeySEBFNJKHNXTLEM-UHFFFAOYSA-N
MW736.82 g/mol
LogP11.11
Rot. Bonds6

About 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline

6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134509181) has the molecular formula C50H33N4OP and a molecular weight of 736.82 g/mol. Its IUPAC name is 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134509181
Molecular FormulaC50H33N4OP
Molecular Weight736.82 g/mol
Exact Mass736.24
IUPAC Name6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESO=P(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3nc4ccccc4c4nc5ccccc5n34)c2c1
InChIInChI=1S/C50H33N4OP/c55-56(38-27-23-36(24-28-38)34-13-3-1-4-14-34,39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-42-41-17-8-11-21-46(41)53(48(42)33-40)50-52-44-19-9-7-18-43(44)49-51-45-20-10-12-22-47(45)54(49)50/h1-33H
InChIKeySEBFNJKHNXTLEM-UHFFFAOYSA-N
XLogP11.11
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.82
LogP ≤ 511.11
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-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509179
10-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-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;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 159192304
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158963688
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 134509065
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-N,N-diphenylaniline;N-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 160751175
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045
6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
CID 134509238
13-diphenylphosphoryl-21-phenyl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 134336789
6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509137

Frequently Asked Questions

What is the IUPAC name of 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134509181) is 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline is O=P(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3nc4ccccc4c4nc5ccccc5n34)c2c1.
What is the InChIKey of 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is SEBFNJKHNXTLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N4OP/c55-56(38-27-23-36(24-28-38)34-13-3-1-4-14-34,39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-42-41-17-8-11-21-46(41)53(48(42)33-40)50-52-44-19-9-7-18-43(44)49-51-45-20-10-12-22-47(45)54(49)50/h1-33H.
What are the key properties of 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 736.82 g/mol, XLogP of 11.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).