7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile

C257H200BF8N23O — CID 158328790

About 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile

7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile (PubChem CID 158328790) has the molecular formula C257H200BF8N23O and a molecular weight of 3789.38 g/mol. Its IUPAC name is 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile.

Molecular Properties

• Compound Name: 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile
• PubChem CID: 158328790
• Molecular Formula: C257H200BF8N23O
• Molecular Weight: 3789.38 g/mol
• Exact Mass: 3786.63
• IUPAC Name: 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile
• SMILES: [C-]#[N+]c1c(B(c2c(C)cccc2C)c2c(C)cccc2C)c2c(c(C#N)c1-n1c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc31)C(F)(F)CC2(F)F.[C-]#[N+]c1c([N+]#[C-])c(C(C)(C)C)c(C(C)(C)C)c(C#N)c1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.[C-]#[N+]c1c([N+]#[C-])c(N2c3ccccc3C(C)(C)c3ccccc32)c(C#N)c(C(C)C)c1C(C)C.[C-]#[N+]c1c([N+]#[C-])c2c(c(C#N)c1-n1c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc31)C(F)(F)C(C)(C)C2(F)F.[C-]#[N+]c1c([N+]#[C-])c2c(c(C#N)c1N1c3ccc(-c4ccccc4)cc3C(C)(C)c3cc(-c4ccccc4)ccc31)C(C)(C)C(C)(C)C2(C)C.[C-]#[N+]c1c([N+]#[C-])c2c(c(C#N)c1N1c3ccc(-c4ccccc4-c4ccccc4)cc3Oc3cc(-c4ccccc4-c4ccccc4)ccc31)C(C)(C)CC2(C)C
• InChI: InChI=1S/C52H38N4O.C51H36BF4N3.C45H40N4.C41H36N4.C38H22F4N4.C30H28N4/c1-51(2)32-52(3,4)47-46(51)41(31-53)50(49(55-6)48(47)54-5)56-42-27-25-35(39-23-15-13-21-37(39)33-17-9-7-10-18-33)29-44(42)57-45-30-36(26-28-43(45)56)40-24-16-14-22-38(40)34-19-11-8-12-20-34;1-30-14-12-15-31(2)45(30)52(46-32(3)16-13-17-33(46)4)47-44-43(50(53,54)29-51(44,55)56)40(28-57)49(48(47)58-5)59-41-24-22-36(34-18-8-6-9-19-34)26-38(41)39-27-37(23-25-42(39)59)35-20-10-7-11-21-35;1-42(2)33-25-30(28-17-13-11-14-18-28)21-23-35(33)49(36-24-22-31(26-34(36)42)29-19-15-12-16-20-29)41-32(27-46)37-38(39(47-9)40(41)48-10)44(5,6)45(7,8)43(37,3)4;1-40(2,3)35-34(27-42)39(38(44-8)37(43-7)36(35)41(4,5)6)45(32-23-19-30(20-24-32)28-15-11-9-12-16-28)33-25-21-31(22-26-33)29-17-13-10-14-18-29;1-36(2)37(39,40)31-28(21-43)35(34(45-4)33(44-3)32(31)38(36,41)42)46-29-17-15-24(22-11-7-5-8-12-22)19-26(29)27-20-25(16-18-30(27)46)23-13-9-6-10-14-23;1-18(2)25-20(17-31)29(28(33-8)27(32-7)26(25)19(3)4)34-23-15-11-9-13-21(23)30(5,6)22-14-10-12-16-24(22)34/h7-30H,32H2,1-4H3;6-27H,29H2,1-4H3;11-26H,1-8H3;9-26H,1-6H3;5-20H,1-2H3;9-16,18-19H,1-6H3
• InChIKey: GPTBNRTZDUKBAC-UHFFFAOYSA-N
• XLogP: 71.83
• TPSA: 222.75 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 290
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3789.38
LogP ≤ 5	71.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile?

The IUPAC name of 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile (CID 158328790) is 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile.

What is the SMILES notation for 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile?

The canonical SMILES for 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile is [C-]#[N+]c1c(B(c2c(C)cccc2C)c2c(C)cccc2C)c2c(c(C#N)c1-n1c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc31)C(F)(F)CC2(F)F.[C-]#[N+]c1c([N+]#[C-])c(C(C)(C)C)c(C(C)(C)C)c(C#N)c1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.[C-]#[N+]c1c([N+]#[C-])c(N2c3ccccc3C(C)(C)c3ccccc32)c(C#N)c(C(C)C)c1C(C)C.[C-]#[N+]c1c([N+]#[C-])c2c(c(C#N)c1-n1c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc31)C(F)(F)C(C)(C)C2(F)F.[C-]#[N+]c1c([N+]#[C-])c2c(c(C#N)c1N1c3ccc(-c4ccccc4)cc3C(C)(C)c3cc(-c4ccccc4)ccc31)C(C)(C)C(C)(C)C2(C)C.[C-]#[N+]c1c([N+]#[C-])c2c(c(C#N)c1N1c3ccc(-c4ccccc4-c4ccccc4)cc3Oc3cc(-c4ccccc4-c4ccccc4)ccc31)C(C)(C)CC2(C)C.

What is the InChIKey of 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile?

The InChIKey is GPTBNRTZDUKBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4O.C51H36BF4N3.C45H40N4.C41H36N4.C38H22F4N4.C30H28N4/c1-51(2)32-52(3,4)47-46(51)41(31-53)50(49(55-6)48(47)54-5)56-42-27-25-35(39-23-15-13-21-37(39)33-17-9-7-10-18-33)29-44(42)57-45-30-36(26-28-43(45)56)40-24-16-14-22-38(40)34-19-11-8-12-20-34;1-30-14-12-15-31(2)45(30)52(46-32(3)16-13-17-33(46)4)47-44-43(50(53,54)29-51(44,55)56)40(28-57)49(48(47)58-5)59-41-24-22-36(34-18-8-6-9-19-34)26-38(41)39-27-37(23-25-42(39)59)35-20-10-7-11-21-35;1-42(2)33-25-30(28-17-13-11-14-18-28)21-23-35(33)49(36-24-22-31(26-34(36)42)29-19-15-12-16-20-29)41-32(27-46)37-38(39(47-9)40(41)48-10)44(5,6)45(7,8)43(37,3)4;1-40(2,3)35-34(27-42)39(38(44-8)37(43-7)36(35)41(4,5)6)45(32-23-19-30(20-24-32)28-15-11-9-12-16-28)33-25-21-31(22-26-33)29-17-13-10-14-18-29;1-36(2)37(39,40)31-28(21-43)35(34(45-4)33(44-3)32(31)38(36,41)42)46-29-17-15-24(22-11-7-5-8-12-22)19-26(29)27-20-25(16-18-30(27)46)23-13-9-6-10-14-23;1-18(2)25-20(17-31)29(28(33-8)27(32-7)26(25)19(3)4)34-23-15-11-9-13-21(23)30(5,6)22-14-10-12-16-24(22)34/h7-30H,32H2,1-4H3;6-27H,29H2,1-4H3;11-26H,1-8H3;9-26H,1-6H3;5-20H,1-2H3;9-16,18-19H,1-6H3.

What are the key properties of 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile?

7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile has a molecular weight of 3789.38 g/mol, XLogP of 71.83, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile is sourced from PubChem (CID 158328790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).