3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline

C29H23N2OP — CID 164745434

IUPAC3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline
SMILESCP(C)(=O)c1ccc(-c2ccc(-c3ccc4c(ccc5nc6ccccc6n54)c3)cc2)cc1
InChIInChI=1S/C29H23N2OP/c1-33(2,32)25-15-11-21(12-16-25)20-7-9-22(10-8-20)23-13-17-27-24(19-23)14-18-29-30-26-5-3-4-6-28(26)31(27)29/h3-19H,1-2H3
InChIKeyXIQNWXGILPWCIM-UHFFFAOYSA-N
MW446.49 g/mol
LogP7.22
Rot. Bonds3

About 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline

3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline (PubChem CID 164745434) has the molecular formula C29H23N2OP and a molecular weight of 446.49 g/mol. Its IUPAC name is 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline
PubChem CID164745434
Molecular FormulaC29H23N2OP
Molecular Weight446.49 g/mol
Exact Mass446.15
IUPAC Name3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline
SMILESCP(C)(=O)c1ccc(-c2ccc(-c3ccc4c(ccc5nc6ccccc6n54)c3)cc2)cc1
InChIInChI=1S/C29H23N2OP/c1-33(2,32)25-15-11-21(12-16-25)20-7-9-22(10-8-20)23-13-17-27-24(19-23)14-18-29-30-26-5-3-4-6-28(26)31(27)29/h3-19H,1-2H3
InChIKeyXIQNWXGILPWCIM-UHFFFAOYSA-N
XLogP7.22
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.49
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-(benzimidazolo[1,2-a]quinolin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 167030704
3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline
CID 175636623
2-methoxybenzimidazolo[1,2-a]quinoline
CID 11521634
13-(7-dimethylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(7-dimethylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-dimethylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-dimethylphosphorylphenyl)-3,10,21-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 161400949
10-[6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-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
CID 58037984
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
13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 134453891
9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
CID 140947009
5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene
CID 146300987
3-(4-iodophenyl)pyrido[1,2-a]benzimidazole
CID 122222891
13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 134453877
5-(7-diphenylphosphorylnaphthalen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;9-(7-diphenylphosphorylnaphthalen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;10-(7-diphenylphosphorylnaphthalen-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
CID 158765388

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline?
The IUPAC name of 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline (CID 164745434) is 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline?
The canonical SMILES for 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline is CP(C)(=O)c1ccc(-c2ccc(-c3ccc4c(ccc5nc6ccccc6n54)c3)cc2)cc1.
What is the InChIKey of 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline?
The InChIKey is XIQNWXGILPWCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N2OP/c1-33(2,32)25-15-11-21(12-16-25)20-7-9-22(10-8-20)23-13-17-27-24(19-23)14-18-29-30-26-5-3-4-6-28(26)31(27)29/h3-19H,1-2H3.
What are the key properties of 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline?
3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline has a molecular weight of 446.49 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 164745434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).