9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole

C73H52N6 — CID 159670250

About 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole

9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole (PubChem CID 159670250) has the molecular formula C73H52N6 and a molecular weight of 1013.26 g/mol. Its IUPAC name is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole
• PubChem CID: 159670250
• Molecular Formula: C73H52N6
• Molecular Weight: 1013.26 g/mol
• Exact Mass: 1012.43
• IUPAC Name: 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole
• SMILES: CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C73H52N6/c1-73(2,3)52-40-41-68-62(46-52)59-34-14-19-39-67(59)79(68)69-60(49-26-20-28-53(42-49)77-63-35-15-10-30-55(63)56-31-11-16-36-64(56)77)44-51(72-75-70(47-22-6-4-7-23-47)74-71(76-72)48-24-8-5-9-25-48)45-61(69)50-27-21-29-54(43-50)78-65-37-17-12-32-57(65)58-33-13-18-38-66(58)78/h4-46H,1-3H3
• InChIKey: DBNWGWHUZJFAQB-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.26
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole?

The IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole (CID 159670250) is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole.

What is the SMILES notation for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole?

The canonical SMILES for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole?

The InChIKey is DBNWGWHUZJFAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N6/c1-73(2,3)52-40-41-68-62(46-52)59-34-14-19-39-67(59)79(68)69-60(49-26-20-28-53(42-49)77-63-35-15-10-30-55(63)56-31-11-16-36-64(56)77)44-51(72-75-70(47-22-6-4-7-23-47)74-71(76-72)48-24-8-5-9-25-48)45-61(69)50-27-21-29-54(43-50)78-65-37-17-12-32-57(65)58-33-13-18-38-66(58)78/h4-46H,1-3H3.

What are the key properties of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole?

9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole has a molecular weight of 1013.26 g/mol, XLogP of 18.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole is sourced from PubChem (CID 159670250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).