6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole
C371H238N36OS — CID 157068248
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILES[2H]C([2H])([2H])c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccccc1-n1c2ccccc2n2c3ccccc3nc12.[2H]C([2H])([2H])c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccccc1-n1c2ccccc2n2c3ccccc3nc12.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3ccccc3-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3ccccc3n21.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5c6ccccc6oc54)ccc32)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5c6ccccc6sc54)ccc32)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1.c1ccc(-n2c3ccccc3n3c4ccccc4nc23)c(-c2ncccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-n2c3ccccc3n3c4ccccc4nc23)c(-c2ncccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/2C50H33N5.C50H31N3O.C50H31N3S.C49H31N5.C48H30N6.C38H26N4.C36H23N5/c1-32-15-14-28-48-49(32)51-50-54(46-26-12-13-27-47(46)55(48)50)44-25-11-5-19-37(44)36-18-4-9-23-42(36)53-43-24-10-6-20-38(43)39-31-33(29-30-45(39)53)52-40-21-7-2-16-34(40)35-17-3-8-22-41(35)52;1-32-15-14-28-48(49(32)37-19-5-10-24-43(37)54-46-26-12-13-27-47(46)55-45-25-11-6-20-39(45)51-50(54)55)53-42-23-9-4-18-36(42)38-31-33(29-30-44(38)53)52-40-21-7-2-16-34(40)35-17-3-8-22-41(35)52;2*1-8-22-41-33(15-1)34-16-2-9-23-42(34)52(41)43-24-10-3-17-35(43)36-18-4-11-25-44(36)53-45-26-12-5-19-37(45)40-31-32(29-30-47(40)53)51-46-27-13-6-20-38(46)49-39-21-7-14-28-48(39)54-50(49)51;1-7-21-40-33(15-1)34-16-2-8-22-41(34)52(40)42-23-9-3-17-35(42)36-18-4-10-24-43(36)53-44-25-11-5-19-37(44)38-31-32(29-30-45(38)53)51-47-27-13-14-28-48(47)54-46-26-12-6-20-39(46)50-49(51)54;1-6-19-38-32(14-1)33-15-2-7-20-39(33)51(38)31-27-28-42-36(30-31)34-16-3-8-21-40(34)52(42)46-26-13-29-49-47(46)35-17-4-9-22-41(35)53-44-24-11-12-25-45(44)54-43-23-10-5-18-37(43)50-48(53)54;1-25-13-12-24-36(40-30-18-6-2-14-26(30)27-15-3-7-19-31(27)40)37(25)28-16-4-8-20-32(28)41-34-22-10-11-23-35(34)42-33-21-9-5-17-29(33)39-38(41)42;1-5-16-28-24(12-1)25-13-2-6-17-29(25)39(28)34-22-11-23-37-35(34)26-14-3-7-18-30(26)40-32-20-9-10-21-33(32)41-31-19-8-4-15-27(31)38-36(40)41/h2*2-31H,1H3;3*1-31H;1-30H;2-24H,1H3;1-23H/i2*1D3;;;;;1D3;
InChIKeyACCZFWUVWSCZPN-XQIZJWSISA-N
MW5257.36 g/mol
LogP94.53
Rot. Bonds33
About 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole
6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 157068248) has the molecular formula C371H238N36OS and a molecular weight of 5257.36 g/mol. Its IUPAC name is 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole.
Molecular Properties
| Compound Name | 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole |
|---|---|
| PubChem CID | 157068248 |
| Molecular Formula | C371H238N36OS |
| Molecular Weight | 5257.36 g/mol |
| Exact Mass | 5253.00 |
| IUPAC Name | 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole |
| SMILES | [2H]C([2H])([2H])c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccccc1-n1c2ccccc2n2c3ccccc3nc12.[2H]C([2H])([2H])c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccccc1-n1c2ccccc2n2c3ccccc3nc12.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3ccccc3-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3ccccc3n21.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5c6ccccc6oc54)ccc32)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5c6ccccc6sc54)ccc32)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1.c1ccc(-n2c3ccccc3n3c4ccccc4nc23)c(-c2ncccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-n2c3ccccc3n3c4ccccc4nc23)c(-c2ncccc2-n2c3ccccc3c3ccccc32)c1 |
| InChI | InChI=1S/2C50H33N5.C50H31N3O.C50H31N3S.C49H31N5.C48H30N6.C38H26N4.C36H23N5/c1-32-15-14-28-48-49(32)51-50-54(46-26-12-13-27-47(46)55(48)50)44-25-11-5-19-37(44)36-18-4-9-23-42(36)53-43-24-10-6-20-38(43)39-31-33(29-30-45(39)53)52-40-21-7-2-16-34(40)35-17-3-8-22-41(35)52;1-32-15-14-28-48(49(32)37-19-5-10-24-43(37)54-46-26-12-13-27-47(46)55-45-25-11-6-20-39(45)51-50(54)55)53-42-23-9-4-18-36(42)38-31-33(29-30-44(38)53)52-40-21-7-2-16-34(40)35-17-3-8-22-41(35)52;2*1-8-22-41-33(15-1)34-16-2-9-23-42(34)52(41)43-24-10-3-17-35(43)36-18-4-11-25-44(36)53-45-26-12-5-19-37(45)40-31-32(29-30-47(40)53)51-46-27-13-6-20-38(46)49-39-21-7-14-28-48(39)54-50(49)51;1-7-21-40-33(15-1)34-16-2-8-22-41(34)52(40)42-23-9-3-17-35(42)36-18-4-10-24-43(36)53-44-25-11-5-19-37(44)38-31-32(29-30-45(38)53)51-47-27-13-14-28-48(47)54-46-26-12-6-20-39(46)50-49(51)54;1-6-19-38-32(14-1)33-15-2-7-20-39(33)51(38)31-27-28-42-36(30-31)34-16-3-8-21-40(34)52(42)46-26-13-29-49-47(46)35-17-4-9-22-41(35)53-44-24-11-12-25-45(44)54-43-23-10-5-18-37(43)50-48(53)54;1-25-13-12-24-36(40-30-18-6-2-14-26(30)27-15-3-7-19-31(27)40)37(25)28-16-4-8-20-32(28)41-34-22-10-11-23-35(34)42-33-21-9-5-17-29(33)39-38(41)42;1-5-16-28-24(12-1)25-13-2-6-17-29(25)39(28)34-22-11-23-37-35(34)26-14-3-7-18-30(26)40-32-20-9-10-21-33(32)41-31-19-8-4-15-27(31)38-36(40)41/h2*2-31H,1H3;3*1-31H;1-30H;2-24H,1H3;1-23H/i2*1D3;;;;;1D3; |
| InChIKey | ACCZFWUVWSCZPN-XQIZJWSISA-N |
| XLogP | 94.53 |
| TPSA | 251.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 409 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5257.36 |
| LogP ≤ 5 | 94.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |
Frequently Asked Questions
What is the IUPAC name of 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 157068248) is 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole is [2H]C([2H])([2H])c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccccc1-n1c2ccccc2n2c3ccccc3nc12.[2H]C([2H])([2H])c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccccc1-n1c2ccccc2n2c3ccccc3nc12.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3ccccc3-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3ccccc3n21.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5c6ccccc6oc54)ccc32)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5c6ccccc6sc54)ccc32)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1.c1ccc(-n2c3ccccc3n3c4ccccc4nc23)c(-c2ncccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-n2c3ccccc3n3c4ccccc4nc23)c(-c2ncccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is ACCZFWUVWSCZPN-XQIZJWSISA-N. The full InChI is InChI=1S/2C50H33N5.C50H31N3O.C50H31N3S.C49H31N5.C48H30N6.C38H26N4.C36H23N5/c1-32-15-14-28-48-49(32)51-50-54(46-26-12-13-27-47(46)55(48)50)44-25-11-5-19-37(44)36-18-4-9-23-42(36)53-43-24-10-6-20-38(43)39-31-33(29-30-45(39)53)52-40-21-7-2-16-34(40)35-17-3-8-22-41(35)52;1-32-15-14-28-48(49(32)37-19-5-10-24-43(37)54-46-26-12-13-27-47(46)55-45-25-11-6-20-39(45)51-50(54)55)53-42-23-9-4-18-36(42)38-31-33(29-30-44(38)53)52-40-21-7-2-16-34(40)35-17-3-8-22-41(35)52;2*1-8-22-41-33(15-1)34-16-2-9-23-42(34)52(41)43-24-10-3-17-35(43)36-18-4-11-25-44(36)53-45-26-12-5-19-37(45)40-31-32(29-30-47(40)53)51-46-27-13-6-20-38(46)49-39-21-7-14-28-48(39)54-50(49)51;1-7-21-40-33(15-1)34-16-2-8-22-41(34)52(40)42-23-9-3-17-35(42)36-18-4-10-24-43(36)53-44-25-11-5-19-37(44)38-31-32(29-30-45(38)53)51-47-27-13-14-28-48(47)54-46-26-12-6-20-39(46)50-49(51)54;1-6-19-38-32(14-1)33-15-2-7-20-39(33)51(38)31-27-28-42-36(30-31)34-16-3-8-21-40(34)52(42)46-26-13-29-49-47(46)35-17-4-9-22-41(35)53-44-24-11-12-25-45(44)54-43-23-10-5-18-37(43)50-48(53)54;1-25-13-12-24-36(40-30-18-6-2-14-26(30)27-15-3-7-19-31(27)40)37(25)28-16-4-8-20-32(28)41-34-22-10-11-23-35(34)42-33-21-9-5-17-29(33)39-38(41)42;1-5-16-28-24(12-1)25-13-2-6-17-29(25)39(28)34-22-11-23-37-35(34)26-14-3-7-18-30(26)40-32-20-9-10-21-33(32)41-31-19-8-4-15-27(31)38-36(40)41/h2*2-31H,1H3;3*1-31H;1-30H;2-24H,1H3;1-23H/i2*1D3;;;;;1D3;.
What are the key properties of 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole?
6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 5257.36 g/mol, XLogP of 94.53, 33 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;5-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]indole;6-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]indole;5-[2-(3-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[2-carbazol-9-yl-6-(trideuteriomethyl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 157068248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157068248 — identifiers, structure, computed properties (public domain)
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