6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile

C113H67N15 — CID 161136547

IUPAC6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile
SMILES[C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C49H28N6.C37H21N5.C27H18N4/c1-51-42-26-31(29-50)30-52-49(42)32-18-20-33(21-19-32)53-47-24-22-34(54-43-14-6-2-10-36(43)37-11-3-7-15-44(37)54)27-40(47)41-28-35(23-25-48(41)53)55-45-16-8-4-12-38(45)39-13-5-9-17-46(39)55;1-39-32-20-24(22-38)23-40-37(32)25-14-16-26(17-15-25)41-35-13-7-4-10-30(35)31-21-27(18-19-36(31)41)42-33-11-5-2-8-28(33)29-9-3-6-12-34(29)42;1-17-4-10-25-22(12-17)23-13-18(2)5-11-26(23)31(25)21-8-6-20(7-9-21)27-24(29-3)14-19(15-28)16-30-27/h2-28,30H;2-21,23H;4-14,16H,1-2H3
InChIKeyUMWKGQHNKXKJSM-UHFFFAOYSA-N
MW1634.88 g/mol
LogP28.71
Rot. Bonds9

About 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile

6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile (PubChem CID 161136547) has the molecular formula C113H67N15 and a molecular weight of 1634.88 g/mol. Its IUPAC name is 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile
PubChem CID161136547
Molecular FormulaC113H67N15
Molecular Weight1634.88 g/mol
Exact Mass1633.57
IUPAC Name6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile
SMILES[C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C49H28N6.C37H21N5.C27H18N4/c1-51-42-26-31(29-50)30-52-49(42)32-18-20-33(21-19-32)53-47-24-22-34(54-43-14-6-2-10-36(43)37-11-3-7-15-44(37)54)27-40(47)41-28-35(23-25-48(41)53)55-45-16-8-4-12-38(45)39-13-5-9-17-46(39)55;1-39-32-20-24(22-38)23-40-37(32)25-14-16-26(17-15-25)41-35-13-7-4-10-30(35)31-21-27(18-19-36(31)41)42-33-11-5-2-8-28(33)29-9-3-6-12-34(29)42;1-17-4-10-25-22(12-17)23-13-18(2)5-11-26(23)31(25)21-8-6-20(7-9-21)27-24(29-3)14-19(15-28)16-30-27/h2-28,30H;2-21,23H;4-14,16H,1-2H3
InChIKeyUMWKGQHNKXKJSM-UHFFFAOYSA-N
XLogP28.71
TPSA152.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.88
LogP ≤ 528.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2-isocyano-4-methylphenyl)phenyl]benzonitrile
CID 157073153
3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 134427511
9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-3,6-di(carbazol-9-yl)carbazole;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 162194032
2,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-isocyanobenzonitrile
CID 140728568
9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 159773784
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[6-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-3-isocyanophenyl]-2-(4-cyanophenyl)pyrimidin-4-yl]benzonitrile;5-[4-[3-(3,6-diisocyanocarbazol-9-yl)carbazol-9-yl]phenyl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile;9-[9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-isocyanophenyl]phenyl]carbazol-3-yl]-3-isocyano-6-methylcarbazole
CID 159125835
2-isocyano-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 123932337
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
9-[4-(4,5-diisocyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318851

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile (CID 161136547) is 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile is [C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile?
The InChIKey is UMWKGQHNKXKJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N6.C37H21N5.C27H18N4/c1-51-42-26-31(29-50)30-52-49(42)32-18-20-33(21-19-32)53-47-24-22-34(54-43-14-6-2-10-36(43)37-11-3-7-15-44(37)54)27-40(47)41-28-35(23-25-48(41)53)55-45-16-8-4-12-38(45)39-13-5-9-17-46(39)55;1-39-32-20-24(22-38)23-40-37(32)25-14-16-26(17-15-25)41-35-13-7-4-10-30(35)31-21-27(18-19-36(31)41)42-33-11-5-2-8-28(33)29-9-3-6-12-34(29)42;1-17-4-10-25-22(12-17)23-13-18(2)5-11-26(23)31(25)21-8-6-20(7-9-21)27-24(29-3)14-19(15-28)16-30-27/h2-28,30H;2-21,23H;4-14,16H,1-2H3.
What are the key properties of 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile?
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile has a molecular weight of 1634.88 g/mol, XLogP of 28.71, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-isocyanopyridine-3-carbonitrile;6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-5-isocyanopyridine-3-carbonitrile is sourced from PubChem (CID 161136547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).