2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline

C170H116N9O3P3 — CID 162195935

IUPAC2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline
SMILESCC1(C)c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4nc(-c5ccccc5)n5c6ccccc6nc5c4c3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4c4nc5ccccc5n34)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5nc(-c6ccccc6)n6c7ccccc7nc6c5c4)ccc2-3)cc1
InChIInChI=1S/C63H42N3OP.C54H36N3OP.C53H38N3OP/c67-68(50-24-12-4-13-25-50,51-26-14-5-15-27-51)52-35-30-43(31-36-52)46-32-37-53-54-38-33-47(42-57(54)63(56(53)41-46,48-20-8-2-9-21-48)49-22-10-3-11-23-49)45-34-39-58-55(40-45)62-65-59-28-16-17-29-60(59)66(62)61(64-58)44-18-6-1-7-19-44;58-59(46-13-3-1-4-14-46,47-15-5-2-6-16-47)48-32-29-39(30-33-48)38-23-26-42(27-24-38)53-55-50-34-31-45(36-49(50)54-56-51-17-9-10-18-52(51)57(53)54)41-21-19-40(20-22-41)44-28-25-37-11-7-8-12-43(37)35-44;1-53(2)46-33-38(35-22-27-42(28-23-35)58(57,40-16-8-4-9-17-40)41-18-10-5-11-19-41)24-29-43(46)44-30-25-39(34-47(44)53)37-26-31-48-45(32-37)52-55-49-20-12-13-21-50(49)56(52)51(54-48)36-14-6-3-7-15-36/h1-42H;1-36H;3-34H,1-2H3
InChIKeyZQXXZFFODGUOMJ-UHFFFAOYSA-N
MW2425.78 g/mol
LogP38.52
Rot. Bonds21

About 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline

2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline (PubChem CID 162195935) has the molecular formula C170H116N9O3P3 and a molecular weight of 2425.78 g/mol. Its IUPAC name is 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline
PubChem CID162195935
Molecular FormulaC170H116N9O3P3
Molecular Weight2425.78 g/mol
Exact Mass2423.84
IUPAC Name2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline
SMILESCC1(C)c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4nc(-c5ccccc5)n5c6ccccc6nc5c4c3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4c4nc5ccccc5n34)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5nc(-c6ccccc6)n6c7ccccc7nc6c5c4)ccc2-3)cc1
InChIInChI=1S/C63H42N3OP.C54H36N3OP.C53H38N3OP/c67-68(50-24-12-4-13-25-50,51-26-14-5-15-27-51)52-35-30-43(31-36-52)46-32-37-53-54-38-33-47(42-57(54)63(56(53)41-46,48-20-8-2-9-21-48)49-22-10-3-11-23-49)45-34-39-58-55(40-45)62-65-59-28-16-17-29-60(59)66(62)61(64-58)44-18-6-1-7-19-44;58-59(46-13-3-1-4-14-46,47-15-5-2-6-16-47)48-32-29-39(30-33-48)38-23-26-42(27-24-38)53-55-50-34-31-45(36-49(50)54-56-51-17-9-10-18-52(51)57(53)54)41-21-19-40(20-22-41)44-28-25-37-11-7-8-12-43(37)35-44;1-53(2)46-33-38(35-22-27-42(28-23-35)58(57,40-16-8-4-9-17-40)41-18-10-5-11-19-41)24-29-43(46)44-30-25-39(34-47(44)53)37-26-31-48-45(32-37)52-55-49-20-12-13-21-50(49)56(52)51(54-48)36-14-6-3-7-15-36/h1-42H;1-36H;3-34H,1-2H3
InChIKeyZQXXZFFODGUOMJ-UHFFFAOYSA-N
XLogP38.52
TPSA141.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002425.78
LogP ≤ 538.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline with MolForge

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Related Compounds

2-[(1Z)-buta-1,3-dienyl]-9-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-3-methyl-5-phenylimidazo[1,2-c]quinazoline
CID 154932316
10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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;11-(7-diphenylphosphoryl-9,9-diphenylfluoren-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;4-(10-diphenylphosphorylphenanthren-9-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;5-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 162177769
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-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;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-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;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-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;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-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 159924016
6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline
CID 122593126
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
14-(9,9-dimethylfluoren-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;14-(3-naphthalen-2-ylphenyl)-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;14-(6-naphthalen-2-yl-2-pyridinyl)-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 162256906
4,11-bis(diphenylphosphoryl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;17-diphenylphosphoryl-11-(4-diphenylphosphorylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;11-diphenylphosphoryl-5-[naphthalen-2-yl(phenyl)phosphoryl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 159309097
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[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 134453877
3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 159150526
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline (CID 162195935) is 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline is CC1(C)c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4nc(-c5ccccc5)n5c6ccccc6nc5c4c3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4c4nc5ccccc5n34)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5nc(-c6ccccc6)n6c7ccccc7nc6c5c4)ccc2-3)cc1.
What is the InChIKey of 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is ZQXXZFFODGUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N3OP.C54H36N3OP.C53H38N3OP/c67-68(50-24-12-4-13-25-50,51-26-14-5-15-27-51)52-35-30-43(31-36-52)46-32-37-53-54-38-33-47(42-57(54)63(56(53)41-46,48-20-8-2-9-21-48)49-22-10-3-11-23-49)45-34-39-58-55(40-45)62-65-59-28-16-17-29-60(59)66(62)61(64-58)44-18-6-1-7-19-44;58-59(46-13-3-1-4-14-46,47-15-5-2-6-16-47)48-32-29-39(30-33-48)38-23-26-42(27-24-38)53-55-50-34-31-45(36-49(50)54-56-51-17-9-10-18-52(51)57(53)54)41-21-19-40(20-22-41)44-28-25-37-11-7-8-12-43(37)35-44;1-53(2)46-33-38(35-22-27-42(28-23-35)58(57,40-16-8-4-9-17-40)41-18-10-5-11-19-41)24-29-43(46)44-30-25-39(34-47(44)53)37-26-31-48-45(32-37)52-55-49-20-12-13-21-50(49)56(52)51(54-48)36-14-6-3-7-15-36/h1-42H;1-36H;3-34H,1-2H3.
What are the key properties of 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline?
2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 2425.78 g/mol, XLogP of 38.52, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-diphenylphosphorylphenyl)-9,9-dimethylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;2-[7-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-yl]-6-phenylbenzimidazolo[1,2-c]quinazoline;6-[4-(4-diphenylphosphorylphenyl)phenyl]-2-(4-naphthalen-2-ylphenyl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 162195935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).