2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline

C119H79N12OP — CID 159593879

IUPAC2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc2ccc3ccccc3n2n1.c1ccc(-c2nc3ccccc3n2-c2cc3ccc4ccccc4n3n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)cc21
InChIInChI=1S/C42H26N2.C30H20N4.C24H16N4.C23H17N2OP/c1-8-16-41-29(9-1)21-23-31-26-40(43-44(31)41)28-19-17-27(18-20-28)30-22-24-35-34-12-4-7-15-38(34)42(39(35)25-30)36-13-5-2-10-32(36)33-11-3-6-14-37(33)42;1-2-9-24(10-3-1)33-29-13-7-5-11-26(29)31-30(33)23-16-14-21(15-17-23)27-20-25-19-18-22-8-4-6-12-28(22)34(25)32-27;1-2-9-18(10-3-1)24-25-20-11-5-7-13-22(20)27(24)23-16-19-15-14-17-8-4-6-12-21(17)28(19)26-23;26-27(20-10-3-1-4-11-20,21-12-5-2-6-13-21)23-17-19-16-15-18-9-7-8-14-22(18)25(19)24-23/h1-26H;1-20H;1-16H;1-17H
InChIKeyMKOSWAOYRKINJT-UHFFFAOYSA-N
MW1724.00 g/mol
LogP26.95
Rot. Bonds10

About 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline

2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline (PubChem CID 159593879) has the molecular formula C119H79N12OP and a molecular weight of 1724.00 g/mol. Its IUPAC name is 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline
PubChem CID159593879
Molecular FormulaC119H79N12OP
Molecular Weight1724.00 g/mol
Exact Mass1722.62
IUPAC Name2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc2ccc3ccccc3n2n1.c1ccc(-c2nc3ccccc3n2-c2cc3ccc4ccccc4n3n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)cc21
InChIInChI=1S/C42H26N2.C30H20N4.C24H16N4.C23H17N2OP/c1-8-16-41-29(9-1)21-23-31-26-40(43-44(31)41)28-19-17-27(18-20-28)30-22-24-35-34-12-4-7-15-38(34)42(39(35)25-30)36-13-5-2-10-32(36)33-11-3-6-14-37(33)42;1-2-9-24(10-3-1)33-29-13-7-5-11-26(29)31-30(33)23-16-14-21(15-17-23)27-20-25-19-18-22-8-4-6-12-28(22)34(25)32-27;1-2-9-18(10-3-1)24-25-20-11-5-7-13-22(20)27(24)23-16-19-15-14-17-8-4-6-12-21(17)28(19)26-23;26-27(20-10-3-1-4-11-20,21-12-5-2-6-13-21)23-17-19-16-15-18-9-7-8-14-22(18)25(19)24-23/h1-26H;1-20H;1-16H;1-17H
InChIKeyMKOSWAOYRKINJT-UHFFFAOYSA-N
XLogP26.95
TPSA121.91 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001724.00
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline with MolForge

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Related Compounds

2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
CID 160738344
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
CID 129040164
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 156528656
1-phenyl-2-(4-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylphenyl)benzimidazole
CID 134258304
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
CID 58500843
2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 118688217

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline?
The IUPAC name of 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline (CID 159593879) is 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline is O=P(c1ccccc1)(c1ccccc1)c1cc2ccc3ccccc3n2n1.c1ccc(-c2nc3ccccc3n2-c2cc3ccc4ccccc4n3n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)cc21.
What is the InChIKey of 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline?
The InChIKey is MKOSWAOYRKINJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2.C30H20N4.C24H16N4.C23H17N2OP/c1-8-16-41-29(9-1)21-23-31-26-40(43-44(31)41)28-19-17-27(18-20-28)30-22-24-35-34-12-4-7-15-38(34)42(39(35)25-30)36-13-5-2-10-32(36)33-11-3-6-14-37(33)42;1-2-9-24(10-3-1)33-29-13-7-5-11-26(29)31-30(33)23-16-14-21(15-17-23)27-20-25-19-18-22-8-4-6-12-28(22)34(25)32-27;1-2-9-18(10-3-1)24-25-20-11-5-7-13-22(20)27(24)23-16-19-15-14-17-8-4-6-12-21(17)28(19)26-23;26-27(20-10-3-1-4-11-20,21-12-5-2-6-13-21)23-17-19-16-15-18-9-7-8-14-22(18)25(19)24-23/h1-26H;1-20H;1-16H;1-17H.
What are the key properties of 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline?
2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline has a molecular weight of 1724.00 g/mol, XLogP of 26.95, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 159593879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).