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

C160H155N11OS2 — CID 161316253

IUPAC4-(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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(C#N)cc1-c1ccccc1.CN(C)c1cc(C#N)cc(-c2cccs2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.COc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1-c1ccccc1.Cc1cc(C#N)cc(-c2cccs2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.Cc1cc(C#N)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C39H36N2.C33H35N3S.C32H32N2S.C28H22N2O.C28H30N2/c1-38(2,3)29-17-19-35-33(23-29)34-24-30(39(4,5)6)18-20-36(34)41(35)37-31(27-13-9-7-10-14-27)21-26(25-40)22-32(37)28-15-11-8-12-16-28;1-32(2,3)22-11-13-27-24(18-22)25-19-23(33(4,5)6)12-14-28(25)36(27)31-26(30-10-9-15-37-30)16-21(20-34)17-29(31)35(7)8;1-20-15-21(19-33)16-26(29-9-8-14-35-29)30(20)34-27-12-10-22(31(2,3)4)17-24(27)25-18-23(32(5,6)7)11-13-28(25)34;1-18-9-11-26-24(13-18)25-16-22(31-3)10-12-27(25)30(26)28-19(2)14-20(17-29)15-23(28)21-7-5-4-6-8-21;1-18-14-19(17-29)8-11-24(18)30-25-12-9-20(27(2,3)4)15-22(25)23-16-21(28(5,6)7)10-13-26(23)30/h7-24H,1-6H3;9-19H,1-8H3;8-18H,1-7H3;4-16H,1-3H3;8-16H,1-7H3
InChIKeyVJNOMLBXFIHEMH-UHFFFAOYSA-N
MW2312.21 g/mol
LogP43.42
Rot. Bonds12

About 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

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 (PubChem CID 161316253) has the molecular formula C160H155N11OS2 and a molecular weight of 2312.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID161316253
Molecular FormulaC160H155N11OS2
Molecular Weight2312.21 g/mol
Exact Mass2310.19
IUPAC Name4-(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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(C#N)cc1-c1ccccc1.CN(C)c1cc(C#N)cc(-c2cccs2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.COc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1-c1ccccc1.Cc1cc(C#N)cc(-c2cccs2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.Cc1cc(C#N)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C39H36N2.C33H35N3S.C32H32N2S.C28H22N2O.C28H30N2/c1-38(2,3)29-17-19-35-33(23-29)34-24-30(39(4,5)6)18-20-36(34)41(35)37-31(27-13-9-7-10-14-27)21-26(25-40)22-32(37)28-15-11-8-12-16-28;1-32(2,3)22-11-13-27-24(18-22)25-19-23(33(4,5)6)12-14-28(25)36(27)31-26(30-10-9-15-37-30)16-21(20-34)17-29(31)35(7)8;1-20-15-21(19-33)16-26(29-9-8-14-35-29)30(20)34-27-12-10-22(31(2,3)4)17-24(27)25-18-23(32(5,6)7)11-13-28(25)34;1-18-9-11-26-24(13-18)25-16-22(31-3)10-12-27(25)30(26)28-19(2)14-20(17-29)15-23(28)21-7-5-4-6-8-21;1-18-14-19(17-29)8-11-24(18)30-25-12-9-20(27(2,3)4)15-22(25)23-16-21(28(5,6)7)10-13-26(23)30/h7-24H,1-6H3;9-19H,1-8H3;8-18H,1-7H3;4-16H,1-3H3;8-16H,1-7H3
InChIKeyVJNOMLBXFIHEMH-UHFFFAOYSA-N
XLogP43.42
TPSA156.07 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002312.21
LogP ≤ 543.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile
CID 149290836
3-[4-(3,6-ditert-butylcarbazol-9-yl)-3-phenylphenyl]-4-isocyanobenzonitrile
CID 140903192
6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146280891
3-[4-[5-cyano-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 159701387
2-(3,6-ditert-butylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 150303541
4-[2-[5-cyano-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 158689119
4-[5-(4-cyanophenyl)-2,4-bis(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
CID 166831232
4-[2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-cyanophenyl)phenyl]benzonitrile
CID 168845296
4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile
CID 135128753
4-[4-[tris[4-(3,6-dimethoxycarbazol-9-yl)phenyl]methyl]phenyl]benzonitrile
CID 122429682
3-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 138515731
3-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)benzonitrile
CID 159604843

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(C#N)cc1-c1ccccc1.CN(C)c1cc(C#N)cc(-c2cccs2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.COc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(C#N)cc1-c1ccccc1.Cc1cc(C#N)cc(-c2cccs2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.Cc1cc(C#N)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 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?
The InChIKey is VJNOMLBXFIHEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N2.C33H35N3S.C32H32N2S.C28H22N2O.C28H30N2/c1-38(2,3)29-17-19-35-33(23-29)34-24-30(39(4,5)6)18-20-36(34)41(35)37-31(27-13-9-7-10-14-27)21-26(25-40)22-32(37)28-15-11-8-12-16-28;1-32(2,3)22-11-13-27-24(18-22)25-19-23(33(4,5)6)12-14-28(25)36(27)31-26(30-10-9-15-37-30)16-21(20-34)17-29(31)35(7)8;1-20-15-21(19-33)16-26(29-9-8-14-35-29)30(20)34-27-12-10-22(31(2,3)4)17-24(27)25-18-23(32(5,6)7)11-13-28(25)34;1-18-9-11-26-24(13-18)25-16-22(31-3)10-12-27(25)30(26)28-19(2)14-20(17-29)15-23(28)21-7-5-4-6-8-21;1-18-14-19(17-29)8-11-24(18)30-25-12-9-20(27(2,3)4)15-22(25)23-16-21(28(5,6)7)10-13-26(23)30/h7-24H,1-6H3;9-19H,1-8H3;8-18H,1-7H3;4-16H,1-3H3;8-16H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 2312.21 g/mol, XLogP of 43.42, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161316253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).