1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene

C252H176F8N6O18P12 — CID 159537100

IUPAC1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(F)c(F)c(-c2c(F)c(F)c(P(=O)(c3ccccc3)c3ccccc3)c(F)c2F)c(F)c1F.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3)c2)cc(P(=O)(c2ccccc2)c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3ccccc3)c3c(-c4ccccc4)c4cc(P(=O)(c5ccccc5)c5ccccc5)ccc4c(-c4ccccc4)c3c(-c3ccccc3)c2c1.O=c1c2cc3c(=O)n(P(=O)(c4ccccc4)c4ccccc4)c(=O)c3cc2c(=O)n1P(=O)(c1ccccc1)c1ccccc1.O=c1n(-c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)c2ccccc2n1-c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1.O=c1n(P(=O)(c2ccccc2)c2ccccc2)c2ccccc2n1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H46O2P2.C43H32N2O3P2.C42H32O2P2.C36H20F8O2P2.C34H22N2O6P2.C31H24N2O3P2/c67-69(51-33-17-5-18-34-51,52-35-19-6-20-36-52)55-41-43-57-59(45-55)64(50-31-15-4-16-32-50)66-62(48-27-11-2-12-28-48)58-44-42-56(70(68,53-37-21-7-22-38-53)54-39-23-8-24-40-54)46-60(58)63(49-29-13-3-14-30-49)65(66)61(57)47-25-9-1-10-26-47;46-43-44(33-17-15-27-39(31-33)49(47,35-19-5-1-6-20-35)36-21-7-2-8-22-36)41-29-13-14-30-42(41)45(43)34-18-16-28-40(32-34)50(48,37-23-9-3-10-24-37)38-25-11-4-12-26-38;43-45(37-21-8-2-9-22-37,38-23-10-3-11-24-38)41-30-36(35-20-16-19-34(29-35)33-17-6-1-7-18-33)31-42(32-41)46(44,39-25-12-4-13-26-39)40-27-14-5-15-28-40;37-27-25(28(38)32(42)35(31(27)41)47(45,21-13-5-1-6-14-21)22-15-7-2-8-16-22)26-29(39)33(43)36(34(44)30(26)40)48(46,23-17-9-3-10-18-23)24-19-11-4-12-20-24;37-31-27-21-29-30(34(40)36(33(29)39)44(42,25-17-9-3-10-18-25)26-19-11-4-12-20-26)22-28(27)32(38)35(31)43(41,23-13-5-1-6-14-23)24-15-7-2-8-16-24;34-31-32(37(35,25-15-5-1-6-16-25)26-17-7-2-8-18-26)29-23-13-14-24-30(29)33(31)38(36,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-46H;1-32H;1-32H;1-20H;1-22H;1-24H
InChIKeyMDSQIYAZGIGZHG-UHFFFAOYSA-N
MW4099.88 g/mol
LogP47.02
Rot. Bonds45

About 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene

1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene (PubChem CID 159537100) has the molecular formula C252H176F8N6O18P12 and a molecular weight of 4099.88 g/mol. Its IUPAC name is 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
PubChem CID159537100
Molecular FormulaC252H176F8N6O18P12
Molecular Weight4099.88 g/mol
Exact Mass4096.98
IUPAC Name1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(F)c(F)c(-c2c(F)c(F)c(P(=O)(c3ccccc3)c3ccccc3)c(F)c2F)c(F)c1F.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3)c2)cc(P(=O)(c2ccccc2)c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3ccccc3)c3c(-c4ccccc4)c4cc(P(=O)(c5ccccc5)c5ccccc5)ccc4c(-c4ccccc4)c3c(-c3ccccc3)c2c1.O=c1c2cc3c(=O)n(P(=O)(c4ccccc4)c4ccccc4)c(=O)c3cc2c(=O)n1P(=O)(c1ccccc1)c1ccccc1.O=c1n(-c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)c2ccccc2n1-c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1.O=c1n(P(=O)(c2ccccc2)c2ccccc2)c2ccccc2n1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H46O2P2.C43H32N2O3P2.C42H32O2P2.C36H20F8O2P2.C34H22N2O6P2.C31H24N2O3P2/c67-69(51-33-17-5-18-34-51,52-35-19-6-20-36-52)55-41-43-57-59(45-55)64(50-31-15-4-16-32-50)66-62(48-27-11-2-12-28-48)58-44-42-56(70(68,53-37-21-7-22-38-53)54-39-23-8-24-40-54)46-60(58)63(49-29-13-3-14-30-49)65(66)61(57)47-25-9-1-10-26-47;46-43-44(33-17-15-27-39(31-33)49(47,35-19-5-1-6-20-35)36-21-7-2-8-22-36)41-29-13-14-30-42(41)45(43)34-18-16-28-40(32-34)50(48,37-23-9-3-10-24-37)38-25-11-4-12-26-38;43-45(37-21-8-2-9-22-37,38-23-10-3-11-24-38)41-30-36(35-20-16-19-34(29-35)33-17-6-1-7-18-33)31-42(32-41)46(44,39-25-12-4-13-26-39)40-27-14-5-15-28-40;37-27-25(28(38)32(42)35(31(27)41)47(45,21-13-5-1-6-14-21)22-15-7-2-8-16-22)26-29(39)33(43)36(34(44)30(26)40)48(46,23-17-9-3-10-18-23)24-19-11-4-12-20-24;37-31-27-21-29-30(34(40)36(33(29)39)44(42,25-17-9-3-10-18-25)26-19-11-4-12-20-26)22-28(27)32(38)35(31)43(41,23-13-5-1-6-14-23)24-15-7-2-8-16-24;34-31-32(37(35,25-15-5-1-6-16-25)26-17-7-2-8-18-26)29-23-13-14-24-30(29)33(31)38(36,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-46H;1-32H;1-32H;1-20H;1-22H;1-24H
InChIKeyMDSQIYAZGIGZHG-UHFFFAOYSA-N
XLogP47.02
TPSA336.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds45
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004099.88
LogP ≤ 547.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene (CID 159537100) is 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene is O=P(c1ccccc1)(c1ccccc1)c1c(F)c(F)c(-c2c(F)c(F)c(P(=O)(c3ccccc3)c3ccccc3)c(F)c2F)c(F)c1F.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3)c2)cc(P(=O)(c2ccccc2)c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3ccccc3)c3c(-c4ccccc4)c4cc(P(=O)(c5ccccc5)c5ccccc5)ccc4c(-c4ccccc4)c3c(-c3ccccc3)c2c1.O=c1c2cc3c(=O)n(P(=O)(c4ccccc4)c4ccccc4)c(=O)c3cc2c(=O)n1P(=O)(c1ccccc1)c1ccccc1.O=c1n(-c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)c2ccccc2n1-c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1.O=c1n(P(=O)(c2ccccc2)c2ccccc2)c2ccccc2n1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The InChIKey is MDSQIYAZGIGZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46O2P2.C43H32N2O3P2.C42H32O2P2.C36H20F8O2P2.C34H22N2O6P2.C31H24N2O3P2/c67-69(51-33-17-5-18-34-51,52-35-19-6-20-36-52)55-41-43-57-59(45-55)64(50-31-15-4-16-32-50)66-62(48-27-11-2-12-28-48)58-44-42-56(70(68,53-37-21-7-22-38-53)54-39-23-8-24-40-54)46-60(58)63(49-29-13-3-14-30-49)65(66)61(57)47-25-9-1-10-26-47;46-43-44(33-17-15-27-39(31-33)49(47,35-19-5-1-6-20-35)36-21-7-2-8-22-36)41-29-13-14-30-42(41)45(43)34-18-16-28-40(32-34)50(48,37-23-9-3-10-24-37)38-25-11-4-12-26-38;43-45(37-21-8-2-9-22-37,38-23-10-3-11-24-38)41-30-36(35-20-16-19-34(29-35)33-17-6-1-7-18-33)31-42(32-41)46(44,39-25-12-4-13-26-39)40-27-14-5-15-28-40;37-27-25(28(38)32(42)35(31(27)41)47(45,21-13-5-1-6-14-21)22-15-7-2-8-16-22)26-29(39)33(43)36(34(44)30(26)40)48(46,23-17-9-3-10-18-23)24-19-11-4-12-20-24;37-31-27-21-29-30(34(40)36(33(29)39)44(42,25-17-9-3-10-18-25)26-19-11-4-12-20-26)22-28(27)32(38)35(31)43(41,23-13-5-1-6-14-23)24-15-7-2-8-16-24;34-31-32(37(35,25-15-5-1-6-16-25)26-17-7-2-8-18-26)29-23-13-14-24-30(29)33(31)38(36,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-46H;1-32H;1-32H;1-20H;1-22H;1-24H.
What are the key properties of 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene has a molecular weight of 4099.88 g/mol, XLogP of 47.02, 45 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(diphenylphosphoryl)benzimidazol-2-one;1,3-bis(3-diphenylphosphorylphenyl)benzimidazol-2-one;1,3-bis(diphenylphosphoryl)-5-(3-phenylphenyl)benzene;2,6-bis(diphenylphosphoryl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,8-bis(diphenylphosphoryl)-5,6,11,12-tetraphenyltetracene;1-diphenylphosphoryl-4-(4-diphenylphosphoryl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 159537100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).