3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole

C112H69N13 — CID 138578547

About 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole

3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole (PubChem CID 138578547) has the molecular formula C112H69N13 and a molecular weight of 1596.88 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole
• PubChem CID: 138578547
• Molecular Formula: C112H69N13
• Molecular Weight: 1596.88 g/mol
• Exact Mass: 1595.58
• IUPAC Name: 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7cc(-c8cccc9c8c8ccccc8n9-c8ccc9c%10ccccc%10n(-c%10ccc(-c%11cccnc%11)c(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10)c9c8)ccc76)ccc54)ccc3-c3cccnc3)n2)cc1
• InChI: InChI=1S/C112H69N13/c1-5-26-70(27-6-1)107-115-108(71-28-7-2-8-29-71)118-111(117-107)94-65-77(49-54-82(94)75-34-24-60-113-68-75)123-102-58-52-79(121-96-42-18-13-36-85(96)86-37-14-19-43-97(86)121)63-92(102)93-64-80(53-59-103(93)123)122-99-45-21-16-39-88(99)91-62-74(48-57-101(91)122)84-41-23-47-104-106(84)90-40-17-22-46-100(90)124(104)81-51-56-89-87-38-15-20-44-98(87)125(105(89)67-81)78-50-55-83(76-35-25-61-114-69-76)95(66-78)112-119-109(72-30-9-3-10-31-72)116-110(120-112)73-32-11-4-12-33-73/h1-69H
• InChIKey: SMEOEWVSEAGWKY-UHFFFAOYSA-N
• XLogP: 27.34
• TPSA: 127.77 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.88
LogP ≤ 5	27.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole (CID 138578547) is 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7cc(-c8cccc9c8c8ccccc8n9-c8ccc9c%10ccccc%10n(-c%10ccc(-c%11cccnc%11)c(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10)c9c8)ccc76)ccc54)ccc3-c3cccnc3)n2)cc1.

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

The InChIKey is SMEOEWVSEAGWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H69N13/c1-5-26-70(27-6-1)107-115-108(71-28-7-2-8-29-71)118-111(117-107)94-65-77(49-54-82(94)75-34-24-60-113-68-75)123-102-58-52-79(121-96-42-18-13-36-85(96)86-37-14-19-43-97(86)121)63-92(102)93-64-80(53-59-103(93)123)122-99-45-21-16-39-88(99)91-62-74(48-57-101(91)122)84-41-23-47-104-106(84)90-40-17-22-46-100(90)124(104)81-51-56-89-87-38-15-20-44-98(87)125(105(89)67-81)78-50-55-83(76-35-25-61-114-69-76)95(66-78)112-119-109(72-30-9-3-10-31-72)116-110(120-112)73-32-11-4-12-33-73/h1-69H.

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

3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole has a molecular weight of 1596.88 g/mol, XLogP of 27.34, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 138578547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).