2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline

C233H161N17O6P6S2 — CID 165015364

IUPAC2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline
SMILESO=P(c1ccc(-c2ccc3cccnc3c2)cc1)(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2cccc3cccnc23)cc1)c1ccc(-c2cccc3cccnc23)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C48H33N4OP.C44H31N4OP.C41H28NOP.C36H25N2OP.C32H23N4OP.C32H21N2OPS2/c53-54(42-32-23-34-13-7-8-14-37(34)33-42,40-28-24-35(25-29-40)47-49-43-19-9-11-21-45(43)51(47)38-15-3-1-4-16-38)41-30-26-36(27-31-41)48-50-44-20-10-12-22-46(44)52(48)39-17-5-2-6-18-39;49-50(36-18-8-3-9-19-36,37-28-24-32(25-29-37)43-45-39-20-10-12-22-41(39)47(43)34-14-4-1-5-15-34)38-30-26-33(27-31-38)44-46-40-21-11-13-23-42(40)48(44)35-16-6-2-7-17-35;43-44(38-25-18-29-7-1-2-9-34(29)27-38,36-21-16-30(17-22-36)35-15-14-33-11-6-26-42-41(33)28-35)37-23-19-32(20-24-37)40-13-5-10-31-8-3-4-12-39(31)40;39-40(30-12-2-1-3-13-30,31-20-16-26(17-21-31)33-14-4-8-28-10-6-24-37-35(28)33)32-22-18-27(19-23-32)34-15-5-9-29-11-7-25-38-36(29)34;37-38(24-8-2-1-3-9-24,25-18-14-22(15-19-25)31-33-27-10-4-5-11-28(27)34-31)26-20-16-23(17-21-26)32-35-29-12-6-7-13-30(29)36-32;35-36(24-8-2-1-3-9-24,25-18-14-22(15-19-25)31-33-27-10-4-6-12-29(27)37-31)26-20-16-23(17-21-26)32-34-28-11-5-7-13-30(28)38-32/h1-33H;1-31H;1-28H;1-25H;1-21H,(H,33,34)(H,35,36);1-21H
InChIKeyKIHIGSUIWJCPSG-UHFFFAOYSA-N
MW3544.94 g/mol
LogP51.39
Rot. Bonds34

About 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline

2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline (PubChem CID 165015364) has the molecular formula C233H161N17O6P6S2 and a molecular weight of 3544.94 g/mol. Its IUPAC name is 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline.

Molecular Properties

Compound Name2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline
PubChem CID165015364
Molecular FormulaC233H161N17O6P6S2
Molecular Weight3544.94 g/mol
Exact Mass3542.07
IUPAC Name2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline
SMILESO=P(c1ccc(-c2ccc3cccnc3c2)cc1)(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2cccc3cccnc23)cc1)c1ccc(-c2cccc3cccnc23)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C48H33N4OP.C44H31N4OP.C41H28NOP.C36H25N2OP.C32H23N4OP.C32H21N2OPS2/c53-54(42-32-23-34-13-7-8-14-37(34)33-42,40-28-24-35(25-29-40)47-49-43-19-9-11-21-45(43)51(47)38-15-3-1-4-16-38)41-30-26-36(27-31-41)48-50-44-20-10-12-22-46(44)52(48)39-17-5-2-6-18-39;49-50(36-18-8-3-9-19-36,37-28-24-32(25-29-37)43-45-39-20-10-12-22-41(39)47(43)34-14-4-1-5-15-34)38-30-26-33(27-31-38)44-46-40-21-11-13-23-42(40)48(44)35-16-6-2-7-17-35;43-44(38-25-18-29-7-1-2-9-34(29)27-38,36-21-16-30(17-22-36)35-15-14-33-11-6-26-42-41(33)28-35)37-23-19-32(20-24-37)40-13-5-10-31-8-3-4-12-39(31)40;39-40(30-12-2-1-3-13-30,31-20-16-26(17-21-31)33-14-4-8-28-10-6-24-37-35(28)33)32-22-18-27(19-23-32)34-15-5-9-29-11-7-25-38-36(29)34;37-38(24-8-2-1-3-9-24,25-18-14-22(15-19-25)31-33-27-10-4-5-11-28(27)34-31)26-20-16-23(17-21-26)32-35-29-12-6-7-13-30(29)36-32;35-36(24-8-2-1-3-9-24,25-18-14-22(15-19-25)31-33-27-10-4-6-12-29(27)37-31)26-20-16-23(17-21-26)32-34-28-11-5-7-13-30(28)38-32/h1-33H;1-31H;1-28H;1-25H;1-21H,(H,33,34)(H,35,36);1-21H
InChIKeyKIHIGSUIWJCPSG-UHFFFAOYSA-N
XLogP51.39
TPSA295.51 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003544.94
LogP ≤ 551.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline?
The IUPAC name of 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline (CID 165015364) is 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline.
What is the SMILES notation for 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline?
The canonical SMILES for 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline is O=P(c1ccc(-c2ccc3cccnc3c2)cc1)(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2cccc3cccnc23)cc1)c1ccc(-c2cccc3cccnc23)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline?
The InChIKey is KIHIGSUIWJCPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N4OP.C44H31N4OP.C41H28NOP.C36H25N2OP.C32H23N4OP.C32H21N2OPS2/c53-54(42-32-23-34-13-7-8-14-37(34)33-42,40-28-24-35(25-29-40)47-49-43-19-9-11-21-45(43)51(47)38-15-3-1-4-16-38)41-30-26-36(27-31-41)48-50-44-20-10-12-22-46(44)52(48)39-17-5-2-6-18-39;49-50(36-18-8-3-9-19-36,37-28-24-32(25-29-37)43-45-39-20-10-12-22-41(39)47(43)34-14-4-1-5-15-34)38-30-26-33(27-31-38)44-46-40-21-11-13-23-42(40)48(44)35-16-6-2-7-17-35;43-44(38-25-18-29-7-1-2-9-34(29)27-38,36-21-16-30(17-22-36)35-15-14-33-11-6-26-42-41(33)28-35)37-23-19-32(20-24-37)40-13-5-10-31-8-3-4-12-39(31)40;39-40(30-12-2-1-3-13-30,31-20-16-26(17-21-31)33-14-4-8-28-10-6-24-37-35(28)33)32-22-18-27(19-23-32)34-15-5-9-29-11-7-25-38-36(29)34;37-38(24-8-2-1-3-9-24,25-18-14-22(15-19-25)31-33-27-10-4-5-11-28(27)34-31)26-20-16-23(17-21-26)32-35-29-12-6-7-13-30(29)36-32;35-36(24-8-2-1-3-9-24,25-18-14-22(15-19-25)31-33-27-10-4-6-12-29(27)37-31)26-20-16-23(17-21-26)32-34-28-11-5-7-13-30(28)38-32/h1-33H;1-31H;1-28H;1-25H;1-21H,(H,33,34)(H,35,36);1-21H.
What are the key properties of 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline?
2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline has a molecular weight of 3544.94 g/mol, XLogP of 51.39, 34 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1H-benzimidazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1H-benzimidazole;2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenylphosphoryl]phenyl]-1,3-benzothiazole;7-[4-[naphthalen-2-yl-(4-naphthalen-1-ylphenyl)phosphoryl]phenyl]quinoline;2-[4-[naphthalen-2-yl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;8-[4-[phenyl-(4-quinolin-8-ylphenyl)phosphoryl]phenyl]quinoline is sourced from PubChem (CID 165015364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).