6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile

C68H40N8O — CID 134343685

IUPAC6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
SMILESCc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-n2c3ccc(C)cc3c3cc(C#N)ccc32)c2oc3c(-n4c5ccc(C)cc5c5cc(C#N)ccc54)cc(-n4c5ccc(C)cc5c5cc(C#N)ccc54)cc3c2c1
InChIInChI=1S/C68H40N8O/c1-37-5-13-57-47(21-37)51-25-41(33-69)9-17-59(51)73(57)45-29-55-56-30-46(74-58-14-6-38(2)22-48(58)52-26-42(34-70)10-18-60(52)74)32-66(76-62-16-8-40(4)24-50(62)54-28-44(36-72)12-20-64(54)76)68(56)77-67(55)65(31-45)75-61-15-7-39(3)23-49(61)53-27-43(35-71)11-19-63(53)75/h5-32H,1-4H3
InChIKeyRTASOCKINVEYPP-UHFFFAOYSA-N
MW985.12 g/mol
LogP16.69
Rot. Bonds4

About 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile

6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile (PubChem CID 134343685) has the molecular formula C68H40N8O and a molecular weight of 985.12 g/mol. Its IUPAC name is 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
PubChem CID134343685
Molecular FormulaC68H40N8O
Molecular Weight985.12 g/mol
Exact Mass984.33
IUPAC Name6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
SMILESCc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-n2c3ccc(C)cc3c3cc(C#N)ccc32)c2oc3c(-n4c5ccc(C)cc5c5cc(C#N)ccc54)cc(-n4c5ccc(C)cc5c5cc(C#N)ccc54)cc3c2c1
InChIInChI=1S/C68H40N8O/c1-37-5-13-57-47(21-37)51-25-41(33-69)9-17-59(51)73(57)45-29-55-56-30-46(74-58-14-6-38(2)22-48(58)52-26-42(34-70)10-18-60(52)74)32-66(76-62-16-8-40(4)24-50(62)54-28-44(36-72)12-20-64(54)76)68(56)77-67(55)65(31-45)75-61-15-7-39(3)23-49(61)53-27-43(35-71)11-19-63(53)75/h5-32H,1-4H3
InChIKeyRTASOCKINVEYPP-UHFFFAOYSA-N
XLogP16.69
TPSA128.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.12
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-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

9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122498901
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140850520
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-[8-(3-cyano-6-isocyanocarbazol-9-yl)dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile
CID 162022797
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
9-(3-carbazol-9-ylphenyl)carbazole;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-[6-(3-methylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158181129
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
9-[2-(3-isocyanocarbazol-9-yl)-8-methyldibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 158890351
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704
3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 134427511

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile?
The IUPAC name of 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile (CID 134343685) is 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile?
The canonical SMILES for 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile is Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-n2c3ccc(C)cc3c3cc(C#N)ccc32)c2oc3c(-n4c5ccc(C)cc5c5cc(C#N)ccc54)cc(-n4c5ccc(C)cc5c5cc(C#N)ccc54)cc3c2c1.
What is the InChIKey of 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile?
The InChIKey is RTASOCKINVEYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N8O/c1-37-5-13-57-47(21-37)51-25-41(33-69)9-17-59(51)73(57)45-29-55-56-30-46(74-58-14-6-38(2)22-48(58)52-26-42(34-70)10-18-60(52)74)32-66(76-62-16-8-40(4)24-50(62)54-28-44(36-72)12-20-64(54)76)68(56)77-67(55)65(31-45)75-61-15-7-39(3)23-49(61)53-27-43(35-71)11-19-63(53)75/h5-32H,1-4H3.
What are the key properties of 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile?
6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile has a molecular weight of 985.12 g/mol, XLogP of 16.69, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 134343685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).