4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole

C182H125Br3F9N11O2S — CID 159496244

IUPAC4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
SMILESCOc1cc(C#N)cc(C)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.COc1ccc2c(c1)c1ccccc1n2-c1c(C)cc(C#N)cc1-c1ccccc1.Cc1cc(C#N)cc(C)c1-n1c2ccccc2c2cc(Br)ccc21.Cc1cc(C(F)(F)F)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C(F)(F)F)cc1-c1ccccc1.FC(F)(F)c1cc(-c2ccccc2)c(-n2c3cc(Br)ccc3c3ccc(Br)cc32)c(-c2cccs2)c1
InChIInChI=1S/C45H30N4O.C32H22F3N.C29H16Br2F3NS.C28H22F3N.C27H20N2O.C21H15BrN2/c1-28-23-29(27-46)24-44(50-2)45(28)49-42-21-19-30(47-38-15-7-3-11-32(38)33-12-4-8-16-39(33)47)25-36(42)37-26-31(20-22-43(37)49)48-40-17-9-5-13-34(40)35-14-6-10-18-41(35)48;1-21-18-26(32(33,34)35)14-17-29(21)36-30-15-12-24(22-8-4-2-5-9-22)19-27(30)28-20-25(13-16-31(28)36)23-10-6-3-7-11-23;30-19-8-10-21-22-11-9-20(31)16-26(22)35(25(21)15-19)28-23(17-5-2-1-3-6-17)13-18(29(32,33)34)14-24(28)27-7-4-12-36-27;1-17-9-11-25-23(13-17)24-14-18(2)10-12-26(24)32(25)27-19(3)15-21(28(29,30)31)16-22(27)20-7-5-4-6-8-20;1-18-14-19(17-28)15-23(20-8-4-3-5-9-20)27(18)29-25-11-7-6-10-22(25)24-16-21(30-2)12-13-26(24)29;1-13-9-15(12-23)10-14(2)21(13)24-19-6-4-3-5-17(19)18-11-16(22)7-8-20(18)24/h3-26H,1-2H3;2-20H,1H3;1-16H;4-16H,1-3H3;3-16H,1-2H3;3-11H,1-2H3
InChIKeyLYUYIGVBMSPTAL-UHFFFAOYSA-N
MW2940.84 g/mol
LogP52.40
Rot. Bonds16

About 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole

4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole (PubChem CID 159496244) has the molecular formula C182H125Br3F9N11O2S and a molecular weight of 2940.84 g/mol. Its IUPAC name is 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
PubChem CID159496244
Molecular FormulaC182H125Br3F9N11O2S
Molecular Weight2940.84 g/mol
Exact Mass2935.71
IUPAC Name4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
SMILESCOc1cc(C#N)cc(C)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.COc1ccc2c(c1)c1ccccc1n2-c1c(C)cc(C#N)cc1-c1ccccc1.Cc1cc(C#N)cc(C)c1-n1c2ccccc2c2cc(Br)ccc21.Cc1cc(C(F)(F)F)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C(F)(F)F)cc1-c1ccccc1.FC(F)(F)c1cc(-c2ccccc2)c(-n2c3cc(Br)ccc3c3ccc(Br)cc32)c(-c2cccs2)c1
InChIInChI=1S/C45H30N4O.C32H22F3N.C29H16Br2F3NS.C28H22F3N.C27H20N2O.C21H15BrN2/c1-28-23-29(27-46)24-44(50-2)45(28)49-42-21-19-30(47-38-15-7-3-11-32(38)33-12-4-8-16-39(33)47)25-36(42)37-26-31(20-22-43(37)49)48-40-17-9-5-13-34(40)35-14-6-10-18-41(35)48;1-21-18-26(32(33,34)35)14-17-29(21)36-30-15-12-24(22-8-4-2-5-9-22)19-27(30)28-20-25(13-16-31(28)36)23-10-6-3-7-11-23;30-19-8-10-21-22-11-9-20(31)16-26(22)35(25(21)15-19)28-23(17-5-2-1-3-6-17)13-18(29(32,33)34)14-24(28)27-7-4-12-36-27;1-17-9-11-25-23(13-17)24-14-18(2)10-12-26(24)32(25)27-19(3)15-21(28(29,30)31)16-22(27)20-7-5-4-6-8-20;1-18-14-19(17-28)15-23(20-8-4-3-5-9-20)27(18)29-25-11-7-6-10-22(25)24-16-21(30-2)12-13-26(24)29;1-13-9-15(12-23)10-14(2)21(13)24-19-6-4-3-5-17(19)18-11-16(22)7-8-20(18)24/h3-26H,1-2H3;2-20H,1H3;1-16H;4-16H,1-3H3;3-16H,1-2H3;3-11H,1-2H3
InChIKeyLYUYIGVBMSPTAL-UHFFFAOYSA-N
XLogP52.40
TPSA129.27 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002940.84
LogP ≤ 552.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

4-Carbazol-9-yl-3-(dimethylamino)-5-phenylbenzonitrile;4-carbazol-9-yl-3,5-dithiophen-2-ylbenzonitrile;bis(4-carbazol-9-yl-3-methylbenzonitrile);bis(4-carbazol-9-yl-3-methyl-5-phenylbenzonitrile);4-carbazol-9-yl-3-phenyl-5-thiophen-2-ylbenzonitrile;bis(3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole)
CID 158112651
Bis(3,6-ditert-butyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole);3,6-ditert-butyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole;3-methoxy-6-methyl-9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole
CID 158304994
4-(3,6-Dibromocarbazol-9-yl)-3-phenylbenzonitrile;4-(3-methoxy-6-methylcarbazol-9-yl)-3,5-dimethylbenzonitrile;4-(3-methoxy-6-methylcarbazol-9-yl)-3-methylbenzonitrile;4-(3-methoxy-6-methylcarbazol-9-yl)-3-methyl-5-thiophen-2-ylbenzonitrile;4-(3-methoxy-6-methylcarbazol-9-yl)-3-thiophen-2-ylbenzonitrile
CID 160728941

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole (CID 159496244) is 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole is COc1cc(C#N)cc(C)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.COc1ccc2c(c1)c1ccccc1n2-c1c(C)cc(C#N)cc1-c1ccccc1.Cc1cc(C#N)cc(C)c1-n1c2ccccc2c2cc(Br)ccc21.Cc1cc(C(F)(F)F)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C(F)(F)F)cc1-c1ccccc1.FC(F)(F)c1cc(-c2ccccc2)c(-n2c3cc(Br)ccc3c3ccc(Br)cc32)c(-c2cccs2)c1.
What is the InChIKey of 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is LYUYIGVBMSPTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O.C32H22F3N.C29H16Br2F3NS.C28H22F3N.C27H20N2O.C21H15BrN2/c1-28-23-29(27-46)24-44(50-2)45(28)49-42-21-19-30(47-38-15-7-3-11-32(38)33-12-4-8-16-39(33)47)25-36(42)37-26-31(20-22-43(37)49)48-40-17-9-5-13-34(40)35-14-6-10-18-41(35)48;1-21-18-26(32(33,34)35)14-17-29(21)36-30-15-12-24(22-8-4-2-5-9-22)19-27(30)28-20-25(13-16-31(28)36)23-10-6-3-7-11-23;30-19-8-10-21-22-11-9-20(31)16-26(22)35(25(21)15-19)28-23(17-5-2-1-3-6-17)13-18(29(32,33)34)14-24(28)27-7-4-12-36-27;1-17-9-11-25-23(13-17)24-14-18(2)10-12-26(24)32(25)27-19(3)15-21(28(29,30)31)16-22(27)20-7-5-4-6-8-20;1-18-14-19(17-28)15-23(20-8-4-3-5-9-20)27(18)29-25-11-7-6-10-22(25)24-16-21(30-2)12-13-26(24)29;1-13-9-15(12-23)10-14(2)21(13)24-19-6-4-3-5-17(19)18-11-16(22)7-8-20(18)24/h3-26H,1-2H3;2-20H,1H3;1-16H;4-16H,1-3H3;3-16H,1-2H3;3-11H,1-2H3.
What are the key properties of 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 2940.84 g/mol, XLogP of 52.40, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromocarbazol-9-yl)-3,5-dimethylbenzonitrile;2,7-dibromo-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-methoxy-5-methylbenzonitrile;3,6-dimethyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;4-(3-methoxycarbazol-9-yl)-3-methyl-5-phenylbenzonitrile;9-[2-methyl-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 159496244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).