2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole

C78H51N5S2 — CID 146280978

About 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole

2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 146280978) has the molecular formula C78H51N5S2 and a molecular weight of 1122.43 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 146280978
• Molecular Formula: C78H51N5S2
• Molecular Weight: 1122.43 g/mol
• Exact Mass: 1121.36
• IUPAC Name: 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2-c2ccccc2)c(C)c1
• InChI: InChI=1S/C78H51N5S2/c1-46-38-47(2)74(48(3)39-46)51-32-37-68-65(40-51)58-36-33-55(82-66-26-14-10-22-56(66)57-23-11-15-27-67(57)82)45-69(58)83(68)75-63(49-18-6-4-7-19-49)41-54(42-64(75)50-20-8-5-9-21-50)78-80-76(52-30-34-61-59-24-12-16-28-70(59)84-72(61)43-52)79-77(81-78)53-31-35-62-60-25-13-17-29-71(60)85-73(62)44-53/h4-45H,1-3H3
• InChIKey: PXPKSAOTJGSVGN-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 48.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1122.43
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?

The IUPAC name of 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole (CID 146280978) is 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole.

What is the SMILES notation for 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?

The canonical SMILES for 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2-c2ccccc2)c(C)c1.

What is the InChIKey of 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?

The InChIKey is PXPKSAOTJGSVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51N5S2/c1-46-38-47(2)74(48(3)39-46)51-32-37-68-65(40-51)58-36-33-55(82-66-26-14-10-22-56(66)57-23-11-15-27-67(57)82)45-69(58)83(68)75-63(49-18-6-4-7-19-49)41-54(42-64(75)50-20-8-5-9-21-50)78-80-76(52-30-34-61-59-24-12-16-28-70(59)84-72(61)43-52)79-77(81-78)53-31-35-62-60-25-13-17-29-71(60)85-73(62)44-53/h4-45H,1-3H3.

What are the key properties of 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?

2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1122.43 g/mol, XLogP of 21.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 146280978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).