3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile

C151H98F3N15O — CID 163865480

IUPAC3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(-c2ccncc2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1cc(-c2c(-n3c4ccccc4c4ccccc43)cc(C#N)cc2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2ccncc2)cc1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)ccc(-c2ccncc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C40H30N4O.C39H24F3N3.2C36H22N4/c1-24-5-9-35-31(17-24)32-18-25(2)6-10-36(32)44(35)40-22-30(27-13-15-42-16-14-27)28(23-41)20-39(40)43-37-11-7-26(3)19-33(37)34-21-29(45-4)8-12-38(34)43;1-24-18-26(22-27(19-24)39(40,41)42)38-36(44-32-14-6-2-10-28(32)29-11-3-7-15-33(29)44)20-25(23-43)21-37(38)45-34-16-8-4-12-30(34)31-13-5-9-17-35(31)45;37-23-30-35(39-31-13-5-1-9-26(31)27-10-2-6-14-32(27)39)21-25(24-17-19-38-20-18-24)22-36(30)40-33-15-7-3-11-28(33)29-12-4-8-16-34(29)40;37-23-30-35(39-31-13-5-1-9-26(31)27-10-2-6-14-32(27)39)18-17-25(24-19-21-38-22-20-24)36(30)40-33-15-7-3-11-28(33)29-12-4-8-16-34(29)40/h5-22H,1-4H3;2-22H,1H3;2*1-22H
InChIKeyPGGGVKPPJPCMFZ-UHFFFAOYSA-N
MW2195.54 g/mol
LogP38.12
Rot. Bonds13

About 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile

3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile (PubChem CID 163865480) has the molecular formula C151H98F3N15O and a molecular weight of 2195.54 g/mol. Its IUPAC name is 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
PubChem CID163865480
Molecular FormulaC151H98F3N15O
Molecular Weight2195.54 g/mol
Exact Mass2193.80
IUPAC Name3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(-c2ccncc2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1cc(-c2c(-n3c4ccccc4c4ccccc43)cc(C#N)cc2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2ccncc2)cc1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)ccc(-c2ccncc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C40H30N4O.C39H24F3N3.2C36H22N4/c1-24-5-9-35-31(17-24)32-18-25(2)6-10-36(32)44(35)40-22-30(27-13-15-42-16-14-27)28(23-41)20-39(40)43-37-11-7-26(3)19-33(37)34-21-29(45-4)8-12-38(34)43;1-24-18-26(22-27(19-24)39(40,41)42)38-36(44-32-14-6-2-10-28(32)29-11-3-7-15-33(29)44)20-25(23-43)21-37(38)45-34-16-8-4-12-30(34)31-13-5-9-17-35(31)45;37-23-30-35(39-31-13-5-1-9-26(31)27-10-2-6-14-32(27)39)21-25(24-17-19-38-20-18-24)22-36(30)40-33-15-7-3-11-28(33)29-12-4-8-16-34(29)40;37-23-30-35(39-31-13-5-1-9-26(31)27-10-2-6-14-32(27)39)18-17-25(24-19-21-38-22-20-24)36(30)40-33-15-7-3-11-28(33)29-12-4-8-16-34(29)40/h5-22H,1-4H3;2-22H,1H3;2*1-22H
InChIKeyPGGGVKPPJPCMFZ-UHFFFAOYSA-N
XLogP38.12
TPSA182.50 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002195.54
LogP ≤ 538.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile with MolForge

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Related Compounds

3-[3-[3,5-Bis[3-(1-phenylindol-3-yl)phenyl]phenyl]phenyl]-1-phenylindole;5-fluoro-3-[2-(5-fluoro-1-phenylindol-3-yl)propan-2-yl]-1-phenylindole;1-(4-fluorophenyl)-3-[2-[1-(4-fluorophenyl)indol-3-yl]propan-2-yl]indole;4-[3-[2-[1-(4-isocyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile;1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole;3-[3-methyl-4-[2-methyl-4-(1-phenylindol-3-yl)phenyl]phenyl]-1-phenylindole;2-(1-phenylindol-3-yl)-9-[3-[9-(1-phenylindol-3-yl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;1-phenyl-3-[2-[1-phenyl-5-(trifluoromethyl)indol-3-yl]propan-2-yl]-5-(trifluoromethyl)indole;trimethyl-[1-phenyl-3-[2-(1-phenyl-5-trimethylsilylindol-3-yl)propan-2-yl]indol-5-yl]silane
CID 158761963
4-[3,6-Bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile
CID 159536579
10-[2,6-Bis(trifluoromethyl)phenyl]-14,14-dimethyl-6,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;2-(21,21-dimethyl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-3-isocyano-5-methylbenzonitrile;12-(2-isocyano-4,6-dimethylphenyl)-7,7-dimethylindeno[1,2-a]carbazole;3-isocyano-5-methyl-4-spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-ylbenzonitrile
CID 159648481
9-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole;2-(3-methoxy-6-methylcarbazol-9-yl)-N,N-dimethyl-3-phenyl-5-(trifluoromethyl)aniline;3-methoxy-6-methyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;3-methoxy-6-methyl-9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole;3-methoxy-6-methyl-9-[2-phenyl-4-(trifluoromethyl)phenyl]carbazole
CID 160191364
1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylpyrrole;1-(2-methoxy-4-phenyl-6-propan-2-ylphenyl)-2-phenylpyrrole;1-[2-methyl-4-(4-methylphenyl)-6-propan-2-ylphenyl]-2-phenylpyrrole;2-phenyl-1-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]pyrrole;5-phenyl-2-[4-(2-phenylpyrrol-1-yl)-3,5-di(propan-2-yl)phenyl]-5H-indeno[1,2-b]pyridine;8-[4-(2-phenylpyrrol-1-yl)-3,5-di(propan-2-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 161858965
2,5-Di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 163449530
3-[5-Cyano-2-(3-methoxy-6-methylcarbazol-9-yl)phenyl]-4-(3-methoxy-6-methylcarbazol-9-yl)benzonitrile;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 163818970
9-[3-[3,6-Bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile
CID 165075557
3,6-Dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107969
9-[4-[3,5-Bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]-3,6-dimethoxycarbazole
CID 167107983
5,14,25-Trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139186355
10-Methoxy-2-[3-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methylpyrido[4,3-c]carbazol-2-ium
CID 14058285

Frequently Asked Questions

What is the IUPAC name of 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile (CID 163865480) is 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile is COc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C#N)c(-c2ccncc2)cc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1cc(-c2c(-n3c4ccccc4c4ccccc43)cc(C#N)cc2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2ccncc2)cc1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)ccc(-c2ccncc2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The InChIKey is PGGGVKPPJPCMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O.C39H24F3N3.2C36H22N4/c1-24-5-9-35-31(17-24)32-18-25(2)6-10-36(32)44(35)40-22-30(27-13-15-42-16-14-27)28(23-41)20-39(40)43-37-11-7-26(3)19-33(37)34-21-29(45-4)8-12-38(34)43;1-24-18-26(22-27(19-24)39(40,41)42)38-36(44-32-14-6-2-10-28(32)29-11-3-7-15-33(29)44)20-25(23-43)21-37(38)45-34-16-8-4-12-30(34)31-13-5-9-17-35(31)45;37-23-30-35(39-31-13-5-1-9-26(31)27-10-2-6-14-32(27)39)21-25(24-17-19-38-20-18-24)22-36(30)40-33-15-7-3-11-28(33)29-12-4-8-16-34(29)40;37-23-30-35(39-31-13-5-1-9-26(31)27-10-2-6-14-32(27)39)18-17-25(24-19-21-38-22-20-24)36(30)40-33-15-7-3-11-28(33)29-12-4-8-16-34(29)40/h5-22H,1-4H3;2-22H,1H3;2*1-22H.
What are the key properties of 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile has a molecular weight of 2195.54 g/mol, XLogP of 38.12, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;2,6-di(carbazol-9-yl)-3-pyridin-4-ylbenzonitrile;2,6-di(carbazol-9-yl)-4-pyridin-4-ylbenzonitrile;4-(3,6-dimethylcarbazol-9-yl)-5-(3-methoxy-6-methylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 163865480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).