9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole

C81H70N14 — CID 137428249

About 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole

9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole (PubChem CID 137428249) has the molecular formula C81H70N14 and a molecular weight of 1239.55 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole
• PubChem CID: 137428249
• Molecular Formula: C81H70N14
• Molecular Weight: 1239.55 g/mol
• Exact Mass: 1238.59
• IUPAC Name: 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole
• SMILES: Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(Cc5c(C)cc(C)c(-c6ccc7c8ccccc8n(-c8ccc(-c9nc(C)nc(C)n9)cc8-c8nc(C)nc(C)n8)c7c6)c5C)c4)ccc2n3-c2ccc(-c3nc(C)nc(C)n3)cc2-c2nc(C)nc(C)n2)c1
• InChI: InChI=1S/C81H70N14/c1-42-29-43(2)32-62(31-42)57-20-25-72-67(37-57)68-38-58(21-26-73(68)94(72)74-27-22-60(78-86-48(7)82-49(8)87-78)39-69(74)80-90-52(11)84-53(12)91-80)63-33-44(3)30-56(35-63)36-66-45(4)34-46(5)77(47(66)6)59-19-24-65-64-17-15-16-18-71(64)95(76(65)41-59)75-28-23-61(79-88-50(9)83-51(10)89-79)40-70(75)81-92-54(13)85-55(14)93-81/h15-35,37-41H,36H2,1-14H3
• InChIKey: CYLMDGRREIZREY-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 164.54 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.55
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole?

The IUPAC name of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole (CID 137428249) is 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole.

What is the SMILES notation for 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole?

The canonical SMILES for 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(Cc5c(C)cc(C)c(-c6ccc7c8ccccc8n(-c8ccc(-c9nc(C)nc(C)n9)cc8-c8nc(C)nc(C)n8)c7c6)c5C)c4)ccc2n3-c2ccc(-c3nc(C)nc(C)n3)cc2-c2nc(C)nc(C)n2)c1.

What is the InChIKey of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole?

The InChIKey is CYLMDGRREIZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H70N14/c1-42-29-43(2)32-62(31-42)57-20-25-72-67(37-57)68-38-58(21-26-73(68)94(72)74-27-22-60(78-86-48(7)82-49(8)87-78)39-69(74)80-90-52(11)84-53(12)91-80)63-33-44(3)30-56(35-63)36-66-45(4)34-46(5)77(47(66)6)59-19-24-65-64-17-15-16-18-71(64)95(76(65)41-59)75-28-23-61(79-88-50(9)83-51(10)89-79)40-70(75)81-92-54(13)85-55(14)93-81/h15-35,37-41H,36H2,1-14H3.

What are the key properties of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole?

9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole has a molecular weight of 1239.55 g/mol, XLogP of 18.20, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-[[3-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-2,4,6-trimethylphenyl]methyl]-5-methylphenyl]-6-(3,5-dimethylphenyl)carbazole is sourced from PubChem (CID 137428249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).