9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

C57H49N7 — CID 158450774

IUPAC9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESCc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C57H49N7/c1-32-30-47(64-50-39(8)35(4)33(2)37(6)48(50)49-38(7)34(3)36(5)40(9)51(49)64)46(57-62-54(43-26-18-12-19-27-43)59-55(63-57)44-28-20-13-21-29-44)31-45(32)56-60-52(41-22-14-10-15-23-41)58-53(61-56)42-24-16-11-17-25-42/h10-31H,1-9H3
InChIKeyXUXSVWJFPHDHGA-UHFFFAOYSA-N
MW832.07 g/mol
LogP13.93
Rot. Bonds7

About 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (PubChem CID 158450774) has the molecular formula C57H49N7 and a molecular weight of 832.07 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
PubChem CID158450774
Molecular FormulaC57H49N7
Molecular Weight832.07 g/mol
Exact Mass831.40
IUPAC Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESCc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C57H49N7/c1-32-30-47(64-50-39(8)35(4)33(2)37(6)48(50)49-38(7)34(3)36(5)40(9)51(49)64)46(57-62-54(43-26-18-12-19-27-43)59-55(63-57)44-28-20-13-21-29-44)31-45(32)56-60-52(41-22-14-10-15-23-41)58-53(61-56)42-24-16-11-17-25-42/h10-31H,1-9H3
InChIKeyXUXSVWJFPHDHGA-UHFFFAOYSA-N
XLogP13.93
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.07
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 158665720
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 158665718
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 161043519
9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane
CID 159902814
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630120
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole
CID 134472400
2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 123624299
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
CID 174181977
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903092

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (CID 158450774) is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The canonical SMILES for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is Cc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The InChIKey is XUXSVWJFPHDHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N7/c1-32-30-47(64-50-39(8)35(4)33(2)37(6)48(50)49-38(7)34(3)36(5)40(9)51(49)64)46(57-62-54(43-26-18-12-19-27-43)59-55(63-57)44-28-20-13-21-29-44)31-45(32)56-60-52(41-22-14-10-15-23-41)58-53(61-56)42-24-16-11-17-25-42/h10-31H,1-9H3.
What are the key properties of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole has a molecular weight of 832.07 g/mol, XLogP of 13.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is sourced from PubChem (CID 158450774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).