5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

C129H87N15 — CID 163495643

IUPAC5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(C#N)c3)c21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(C#N)c4)c3cc21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(C#N)c4)c3c21
InChIInChI=1S/3C43H29N5/c1-43(2)35-19-11-9-18-34(35)38-36(43)24-23-33-32-17-10-12-20-37(32)48(39(33)38)30-21-22-31(29(25-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28;1-43(2)36-19-11-9-17-32(36)34-24-35-33-18-10-12-20-38(33)48(39(35)25-37(34)43)30-21-22-31(29(23-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28;1-43(2)36-19-11-9-17-32(36)34-23-24-35-33-18-10-12-20-37(33)48(39(35)38(34)43)30-21-22-31(29(25-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28/h3*3-25H,1-2H3
InChIKeyCQKXXBLGEUOFOY-UHFFFAOYSA-N
MW1847.22 g/mol
LogP30.44
Rot. Bonds12

About 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 163495643) has the molecular formula C129H87N15 and a molecular weight of 1847.22 g/mol. Its IUPAC name is 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID163495643
Molecular FormulaC129H87N15
Molecular Weight1847.22 g/mol
Exact Mass1845.73
IUPAC Name5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(C#N)c3)c21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(C#N)c4)c3cc21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(C#N)c4)c3c21
InChIInChI=1S/3C43H29N5/c1-43(2)35-19-11-9-18-34(35)38-36(43)24-23-33-32-17-10-12-20-37(32)48(39(33)38)30-21-22-31(29(25-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28;1-43(2)36-19-11-9-17-32(36)34-24-35-33-18-10-12-20-38(33)48(39(35)25-37(34)43)30-21-22-31(29(23-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28;1-43(2)36-19-11-9-17-32(36)34-23-24-35-33-18-10-12-20-37(33)48(39(35)38(34)43)30-21-22-31(29(25-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28/h3*3-25H,1-2H3
InChIKeyCQKXXBLGEUOFOY-UHFFFAOYSA-N
XLogP30.44
TPSA202.17 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.22
LogP ≤ 530.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile with MolForge

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Related Compounds

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161090535
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 118613577
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
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
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole
CID 158475743
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
9-(3-carbazol-9-ylphenyl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-carbazol-9-ylphenyl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(3-carbazol-9-ylphenyl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-7,7-dimethylindeno[1,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4-carbazol-9-ylphenyl)-10,10-dimethylindeno[1,2-b]indole;5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 161134121

Frequently Asked Questions

What is the IUPAC name of 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 163495643) is 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(C#N)c3)c21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(C#N)c4)c3cc21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(C#N)c4)c3c21.
What is the InChIKey of 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is CQKXXBLGEUOFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H29N5/c1-43(2)35-19-11-9-18-34(35)38-36(43)24-23-33-32-17-10-12-20-37(32)48(39(33)38)30-21-22-31(29(25-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28;1-43(2)36-19-11-9-17-32(36)34-24-35-33-18-10-12-20-38(33)48(39(35)25-37(34)43)30-21-22-31(29(23-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28;1-43(2)36-19-11-9-17-32(36)34-23-24-35-33-18-10-12-20-37(33)48(39(35)38(34)43)30-21-22-31(29(25-30)26-44)42-46-40(27-13-5-3-6-14-27)45-41(47-42)28-15-7-4-8-16-28/h3*3-25H,1-2H3.
What are the key properties of 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 1847.22 g/mol, XLogP of 30.44, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 163495643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).