5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole

C52H36N6 — CID 146281335

IUPAC5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(-c2ccccc2)cc(-c2nc(-c3cccnc3)nc(-c3cccnc3)n2)cc1-c1ccccc1
InChIInChI=1S/C52H36N6/c1-52(2)44-23-11-9-21-38(44)42-30-47-43(29-45(42)52)39-22-10-12-24-46(39)58(47)48-40(33-15-5-3-6-16-33)27-37(28-41(48)34-17-7-4-8-18-34)51-56-49(35-19-13-25-53-31-35)55-50(57-51)36-20-14-26-54-32-36/h3-32H,1-2H3
InChIKeyAPZLKIJLRAZUAU-UHFFFAOYSA-N
MW744.90 g/mol
LogP12.40
Rot. Bonds6

About 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole

5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 146281335) has the molecular formula C52H36N6 and a molecular weight of 744.90 g/mol. Its IUPAC name is 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID146281335
Molecular FormulaC52H36N6
Molecular Weight744.90 g/mol
Exact Mass744.30
IUPAC Name5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(-c2ccccc2)cc(-c2nc(-c3cccnc3)nc(-c3cccnc3)n2)cc1-c1ccccc1
InChIInChI=1S/C52H36N6/c1-52(2)44-23-11-9-21-38(44)42-30-47-43(29-45(42)52)39-22-10-12-24-46(39)58(47)48-40(33-15-5-3-6-16-33)27-37(28-41(48)34-17-7-4-8-18-34)51-56-49(35-19-13-25-53-31-35)55-50(57-51)36-20-14-26-54-32-36/h3-32H,1-2H3
InChIKeyAPZLKIJLRAZUAU-UHFFFAOYSA-N
XLogP12.40
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146281333
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole
CID 176634741
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
5-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 149412485
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile
CID 118927771
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole (CID 146281335) is 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(-c2ccccc2)cc(-c2nc(-c3cccnc3)nc(-c3cccnc3)n2)cc1-c1ccccc1.
What is the InChIKey of 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is APZLKIJLRAZUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6/c1-52(2)44-23-11-9-21-38(44)42-30-47-43(29-45(42)52)39-22-10-12-24-46(39)58(47)48-40(33-15-5-3-6-16-33)27-37(28-41(48)34-17-7-4-8-18-34)51-56-49(35-19-13-25-53-31-35)55-50(57-51)36-20-14-26-54-32-36/h3-32H,1-2H3.
What are the key properties of 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 744.90 g/mol, XLogP of 12.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 146281335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).