4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

C153H96N16O — CID 161328818

IUPAC4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c21.N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)cc1
InChIInChI=1S/C52H32N6.C52H31N5O.C49H33N5/c53-33-34-23-25-35(26-24-34)38-29-39(52-55-50(36-13-3-1-4-14-36)54-51(56-52)37-15-5-2-6-16-37)31-41(30-38)58-48-22-12-9-19-44(48)45-32-40(27-28-49(45)58)57-46-20-10-7-17-42(46)43-18-8-11-21-47(43)57;53-32-33-22-24-34(25-23-33)38-28-39(52-55-50(35-12-3-1-4-13-35)54-51(56-52)36-14-5-2-6-15-36)30-40(29-38)57-46-20-9-7-16-42(46)43-27-26-37(31-47(43)57)41-18-11-19-45-44-17-8-10-21-48(44)58-49(41)45;1-49(2)42-19-11-9-17-38(42)40-25-26-41-39-18-10-12-20-43(39)54(45(41)44(40)49)37-28-35(32-23-21-31(30-50)22-24-32)27-36(29-37)48-52-46(33-13-5-3-6-14-33)51-47(53-48)34-15-7-4-8-16-34/h1-32H;1-31H;3-29H,1-2H3
InChIKeyVLDHTJUSJSGANB-UHFFFAOYSA-N
MW2174.56 g/mol
LogP37.49
Rot. Bonds17

About 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (PubChem CID 161328818) has the molecular formula C153H96N16O and a molecular weight of 2174.56 g/mol. Its IUPAC name is 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
PubChem CID161328818
Molecular FormulaC153H96N16O
Molecular Weight2174.56 g/mol
Exact Mass2172.80
IUPAC Name4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c21.N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)cc1
InChIInChI=1S/C52H32N6.C52H31N5O.C49H33N5/c53-33-34-23-25-35(26-24-34)38-29-39(52-55-50(36-13-3-1-4-14-36)54-51(56-52)37-15-5-2-6-16-37)31-41(30-38)58-48-22-12-9-19-44(48)45-32-40(27-28-49(45)58)57-46-20-10-7-17-42(46)43-18-8-11-21-47(43)57;53-32-33-22-24-34(25-23-33)38-28-39(52-55-50(35-12-3-1-4-13-35)54-51(56-52)36-14-5-2-6-15-36)30-40(29-38)57-46-20-9-7-16-42(46)43-27-26-37(31-47(43)57)41-18-11-19-45-44-17-8-10-21-48(44)58-49(41)45;1-49(2)42-19-11-9-17-38(42)40-25-26-41-39-18-10-12-20-43(39)54(45(41)44(40)49)37-28-35(32-23-21-31(30-50)22-24-32)27-36(29-37)48-52-46(33-13-5-3-6-14-33)51-47(53-48)34-15-7-4-8-16-34/h1-32H;1-31H;3-29H,1-2H3
InChIKeyVLDHTJUSJSGANB-UHFFFAOYSA-N
XLogP37.49
TPSA220.24 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002174.56
LogP ≤ 537.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]benzonitrile;4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]benzonitrile
CID 159906958
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967
7-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 126580289
7-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 126580279
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534938
11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158828400
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142568378
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
12-[3-[3-[5-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 123161041
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The IUPAC name of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (CID 161328818) is 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c21.N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)cc1.
What is the InChIKey of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The InChIKey is VLDHTJUSJSGANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6.C52H31N5O.C49H33N5/c53-33-34-23-25-35(26-24-34)38-29-39(52-55-50(36-13-3-1-4-14-36)54-51(56-52)37-15-5-2-6-16-37)31-41(30-38)58-48-22-12-9-19-44(48)45-32-40(27-28-49(45)58)57-46-20-10-7-17-42(46)43-18-8-11-21-47(43)57;53-32-33-22-24-34(25-23-33)38-28-39(52-55-50(35-12-3-1-4-13-35)54-51(56-52)36-14-5-2-6-15-36)30-40(29-38)57-46-20-9-7-16-42(46)43-27-26-37(31-47(43)57)41-18-11-19-45-44-17-8-10-21-48(44)58-49(41)45;1-49(2)42-19-11-9-17-38(42)40-25-26-41-39-18-10-12-20-43(39)54(45(41)44(40)49)37-28-35(32-23-21-31(30-50)22-24-32)27-36(29-37)48-52-46(33-13-5-3-6-14-33)51-47(53-48)34-15-7-4-8-16-34/h1-32H;1-31H;3-29H,1-2H3.
What are the key properties of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile has a molecular weight of 2174.56 g/mol, XLogP of 37.49, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 161328818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).