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

C121H90Br2N10O4S2 — CID 160728941

IUPAC4-(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
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1-c1cccs1.COc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1C.COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1cccs1.COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C.N#Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C26H20N2OS.C25H14Br2N2.C25H18N2OS.C23H20N2O.C22H18N2O/c1-16-6-8-23-20(11-16)21-14-19(29-3)7-9-24(21)28(23)26-17(2)12-18(15-27)13-22(26)25-5-4-10-30-25;26-18-7-10-24-21(13-18)22-14-19(27)8-11-25(22)29(24)23-9-6-16(15-28)12-20(23)17-4-2-1-3-5-17;1-16-5-8-22-19(12-16)20-14-18(28-2)7-10-23(20)27(22)24-9-6-17(15-26)13-21(24)25-4-3-11-29-25;1-14-5-7-21-19(9-14)20-12-18(26-4)6-8-22(20)25(21)23-15(2)10-17(13-24)11-16(23)3;1-14-4-7-21-18(10-14)19-12-17(25-3)6-9-22(19)24(21)20-8-5-16(13-23)11-15(20)2/h4-14H,1-3H3;1-14H;3-14H,1-2H3;5-12H,1-4H3;4-12H,1-3H3
InChIKeyRUBORSFKENZAIJ-UHFFFAOYSA-N
MW1972.06 g/mol
LogP32.43
Rot. Bonds12

About 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

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 (PubChem CID 160728941) has the molecular formula C121H90Br2N10O4S2 and a molecular weight of 1972.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID160728941
Molecular FormulaC121H90Br2N10O4S2
Molecular Weight1972.06 g/mol
Exact Mass1968.50
IUPAC Name4-(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
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1-c1cccs1.COc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1C.COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1cccs1.COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C.N#Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C26H20N2OS.C25H14Br2N2.C25H18N2OS.C23H20N2O.C22H18N2O/c1-16-6-8-23-20(11-16)21-14-19(29-3)7-9-24(21)28(23)26-17(2)12-18(15-27)13-22(26)25-5-4-10-30-25;26-18-7-10-24-21(13-18)22-14-19(27)8-11-25(22)29(24)23-9-6-16(15-28)12-20(23)17-4-2-1-3-5-17;1-16-5-8-22-19(12-16)20-14-18(28-2)7-10-23(20)27(22)24-9-6-17(15-26)13-21(24)25-4-3-11-29-25;1-14-5-7-21-19(9-14)20-12-18(26-4)6-8-22(20)25(21)23-15(2)10-17(13-24)11-16(23)3;1-14-4-7-21-18(10-14)19-12-17(25-3)6-9-22(19)24(21)20-8-5-16(13-23)11-15(20)2/h4-14H,1-3H3;1-14H;3-14H,1-2H3;5-12H,1-4H3;4-12H,1-3H3
InChIKeyRUBORSFKENZAIJ-UHFFFAOYSA-N
XLogP32.43
TPSA180.52 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001972.06
LogP ≤ 532.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 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-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
9,9'-(Sulfonylbis(4,1-phenylene))bis(3-methoxy-6-(thiophen-2-yl)-9h-carbazole)
CID 168356111
4-(3,6-Dimethoxycarbazol-9-yl)-3-thiophen-2-ylbenzonitrile
CID 124174050
3-bromo-9-tert-butylcarbazole;9-tert-butyl-3,6-dimethylcarbazole;9-tert-butyl-3,6-diphenylcarbazole;9-tert-butyl-3-methoxycarbazole;9-tert-butyl-3-methoxy-6-methylcarbazole;9-tert-butyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;3,6-dibromo-9-tert-butylcarbazole;3,6,9-tritert-butylcarbazole
CID 157840547
4-bromo-N,N-bis(4-bromophenyl)aniline;2-bromo-3-octylthiophene;N-(4-butoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;N-(4-butylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;3,6-dibromo-9-(4-bromophenyl)carbazole
CID 160435036
4-(3,6-Ditert-butylcarbazol-9-yl)-3-(dimethylamino)-5-thiophen-2-ylbenzonitrile;4-(3,6-ditert-butylcarbazol-9-yl)-3,5-diphenylbenzonitrile;4-(3,6-ditert-butylcarbazol-9-yl)-3-methylbenzonitrile;4-(3,6-ditert-butylcarbazol-9-yl)-3-methyl-5-thiophen-2-ylbenzonitrile;4-(3-methoxy-6-methylcarbazol-9-yl)-3-methyl-5-phenylbenzonitrile
CID 161316253
CID 162001173
CID 162001173
2-[2,7-Bis[5-[4-(3,6-dihexoxycarbazol-9-yl)phenyl]thiophen-2-yl]fluoren-9-ylidene]-2-isocyanoacetonitrile
CID 171056168
4-[5-(3,6-dimethoxycarbazol-9-yl)thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)thiophen-2-yl]phenyl]aniline
CID 102097666
4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline
CID 102097667

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1-c1cccs1.COc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1C.COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1cccs1.COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C.N#Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(-c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is RUBORSFKENZAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2OS.C25H14Br2N2.C25H18N2OS.C23H20N2O.C22H18N2O/c1-16-6-8-23-20(11-16)21-14-19(29-3)7-9-24(21)28(23)26-17(2)12-18(15-27)13-22(26)25-5-4-10-30-25;26-18-7-10-24-21(13-18)22-14-19(27)8-11-25(22)29(24)23-9-6-16(15-28)12-20(23)17-4-2-1-3-5-17;1-16-5-8-22-19(12-16)20-14-18(28-2)7-10-23(20)27(22)24-9-6-17(15-26)13-21(24)25-4-3-11-29-25;1-14-5-7-21-19(9-14)20-12-18(26-4)6-8-22(20)25(21)23-15(2)10-17(13-24)11-16(23)3;1-14-4-7-21-18(10-14)19-12-17(25-3)6-9-22(19)24(21)20-8-5-16(13-23)11-15(20)2/h4-14H,1-3H3;1-14H;3-14H,1-2H3;5-12H,1-4H3;4-12H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1972.06 g/mol, XLogP of 32.43, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160728941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).