2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium

C202H145N20O4P4+5 — CID 159073802

IUPAC2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium
SMILESO=P(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1.O=P(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C57H42N6OP.C57H39N6OP.C44H33N4OP.C44H31N4OP/c64-65(49-31-25-43(26-32-49)52-40-58-37-13-10-22-55(58)61(52)46-16-4-1-5-17-46,50-33-27-44(28-34-50)53-41-59-38-14-11-23-56(59)62(53)47-18-6-2-7-19-47)51-35-29-45(30-36-51)54-42-60-39-15-12-24-57(60)63(54)48-20-8-3-9-21-48;64-65(46-34-28-40(29-35-46)55-58-49-22-10-13-25-52(49)61(55)43-16-4-1-5-17-43,47-36-30-41(31-37-47)56-59-50-23-11-14-26-53(50)62(56)44-18-6-2-7-19-44)48-38-32-42(33-39-48)57-60-51-24-12-15-27-54(51)63(57)45-20-8-3-9-21-45;49-50(38-18-8-3-9-19-38,39-26-22-34(23-27-39)41-32-45-30-12-10-20-43(45)47(41)36-14-4-1-5-15-36)40-28-24-35(25-29-40)42-33-46-31-13-11-21-44(46)48(42)37-16-6-2-7-17-37;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/h1-42H;1-39H;1-33H;1-31H/q+3;;+2;
InChIKeySDFKXERFLGLRSA-UHFFFAOYSA-N
MW3040.41 g/mol
LogP39.32
Rot. Bonds32

About 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium

2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium (PubChem CID 159073802) has the molecular formula C202H145N20O4P4+5 and a molecular weight of 3040.41 g/mol. Its IUPAC name is 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium
PubChem CID159073802
Molecular FormulaC202H145N20O4P4+5
Molecular Weight3040.41 g/mol
Exact Mass3038.07
IUPAC Name2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium
SMILESO=P(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1.O=P(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C57H42N6OP.C57H39N6OP.C44H33N4OP.C44H31N4OP/c64-65(49-31-25-43(26-32-49)52-40-58-37-13-10-22-55(58)61(52)46-16-4-1-5-17-46,50-33-27-44(28-34-50)53-41-59-38-14-11-23-56(59)62(53)47-18-6-2-7-19-47)51-35-29-45(30-36-51)54-42-60-39-15-12-24-57(60)63(54)48-20-8-3-9-21-48;64-65(46-34-28-40(29-35-46)55-58-49-22-10-13-25-52(49)61(55)43-16-4-1-5-17-43,47-36-30-41(31-37-47)56-59-50-23-11-14-26-53(50)62(56)44-18-6-2-7-19-44)48-38-32-42(33-39-48)57-60-51-24-12-15-27-54(51)63(57)45-20-8-3-9-21-45;49-50(38-18-8-3-9-19-38,39-26-22-34(23-27-39)41-32-45-30-12-10-20-43(45)47(41)36-14-4-1-5-15-36)40-28-24-35(25-29-40)42-33-46-31-13-11-21-44(46)48(42)37-16-6-2-7-17-37;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/h1-42H;1-39H;1-33H;1-31H/q+3;;+2;
InChIKeySDFKXERFLGLRSA-UHFFFAOYSA-N
XLogP39.32
TPSA202.53 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003040.41
LogP ≤ 539.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium (CID 159073802) is 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium is O=P(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1.O=P(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium?
The InChIKey is SDFKXERFLGLRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N6OP.C57H39N6OP.C44H33N4OP.C44H31N4OP/c64-65(49-31-25-43(26-32-49)52-40-58-37-13-10-22-55(58)61(52)46-16-4-1-5-17-46,50-33-27-44(28-34-50)53-41-59-38-14-11-23-56(59)62(53)47-18-6-2-7-19-47)51-35-29-45(30-36-51)54-42-60-39-15-12-24-57(60)63(54)48-20-8-3-9-21-48;64-65(46-34-28-40(29-35-46)55-58-49-22-10-13-25-52(49)61(55)43-16-4-1-5-17-43,47-36-30-41(31-37-47)56-59-50-23-11-14-26-53(50)62(56)44-18-6-2-7-19-44)48-38-32-42(33-39-48)57-60-51-24-12-15-27-54(51)63(57)45-20-8-3-9-21-45;49-50(38-18-8-3-9-19-38,39-26-22-34(23-27-39)41-32-45-30-12-10-20-43(45)47(41)36-14-4-1-5-15-36)40-28-24-35(25-29-40)42-33-46-31-13-11-21-44(46)48(42)37-16-6-2-7-17-37;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/h1-42H;1-39H;1-33H;1-31H/q+3;;+2;.
What are the key properties of 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium?
2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium has a molecular weight of 3040.41 g/mol, XLogP of 39.32, 32 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 159073802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).