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

C116H100N12 — CID 158665718

IUPAC9-[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
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/2C58H50N6/c1-33-30-50(64-53-40(8)36(4)34(2)38(6)51(53)52-39(7)35(3)37(5)41(9)54(52)64)47(58-59-48(42-22-14-10-15-23-42)32-49(60-58)43-24-16-11-17-25-43)31-46(33)57-62-55(44-26-18-12-19-27-44)61-56(63-57)45-28-20-13-21-29-45;1-33-30-46(57-62-55(44-26-18-12-19-27-44)61-56(63-57)45-28-20-13-21-29-45)31-47(58-59-48(42-22-14-10-15-23-42)32-49(60-58)43-24-16-11-17-25-43)52(33)64-53-40(8)36(4)34(2)38(6)50(53)51-39(7)35(3)37(5)41(9)54(51)64/h2*10-32H,1-9H3
InChIKeyIDIDKRXNGQQYLT-UHFFFAOYSA-N
MW1662.16 g/mol
LogP29.07
Rot. Bonds14

About 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

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 (PubChem CID 158665718) has the molecular formula C116H100N12 and a molecular weight of 1662.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID158665718
Molecular FormulaC116H100N12
Molecular Weight1662.16 g/mol
Exact Mass1660.82
IUPAC Name9-[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
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/2C58H50N6/c1-33-30-50(64-53-40(8)36(4)34(2)38(6)51(53)52-39(7)35(3)37(5)41(9)54(52)64)47(58-59-48(42-22-14-10-15-23-42)32-49(60-58)43-24-16-11-17-25-43)31-46(33)57-62-55(44-26-18-12-19-27-44)61-56(63-57)45-28-20-13-21-29-45;1-33-30-46(57-62-55(44-26-18-12-19-27-44)61-56(63-57)45-28-20-13-21-29-45)31-47(58-59-48(42-22-14-10-15-23-42)32-49(60-58)43-24-16-11-17-25-43)52(33)64-53-40(8)36(4)34(2)38(6)50(53)51-39(7)35(3)37(5)41(9)54(51)64/h2*10-32H,1-9H3
InChIKeyIDIDKRXNGQQYLT-UHFFFAOYSA-N
XLogP29.07
TPSA138.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.16
LogP ≤ 529.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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-(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-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 158450774
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-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137420974
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 169056298
5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 154597654
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 137414730
5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 154597670
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
CID 67574346
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 118518202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 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?
The InChIKey is IDIDKRXNGQQYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H50N6/c1-33-30-50(64-53-40(8)36(4)34(2)38(6)51(53)52-39(7)35(3)37(5)41(9)54(52)64)47(58-59-48(42-22-14-10-15-23-42)32-49(60-58)43-24-16-11-17-25-43)31-46(33)57-62-55(44-26-18-12-19-27-44)61-56(63-57)45-28-20-13-21-29-45;1-33-30-46(57-62-55(44-26-18-12-19-27-44)61-56(63-57)45-28-20-13-21-29-45)31-47(58-59-48(42-22-14-10-15-23-42)32-49(60-58)43-24-16-11-17-25-43)52(33)64-53-40(8)36(4)34(2)38(6)50(53)51-39(7)35(3)37(5)41(9)54(51)64/h2*10-32H,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 1662.16 g/mol, XLogP of 29.07, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158665718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).