3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole

C59H37N7 — CID 118149543

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole (PubChem CID 118149543) has the molecular formula C59H37N7 and a molecular weight of 843.99 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole
• PubChem CID: 118149543
• Molecular Formula: C59H37N7
• Molecular Weight: 843.99 g/mol
• Exact Mass: 843.31
• IUPAC Name: 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5c5ccccc5n6-c5cncc6cccnc56)cc4)c3)n2)cc1
• InChI: InChI=1S/C59H37N7/c1-3-14-39(15-4-1)57-62-58(40-16-5-2-6-17-40)64-59(63-57)43-19-11-18-41(34-43)42-29-32-52-49(35-42)47-21-7-9-24-50(47)65(52)45-30-27-38(28-31-45)46-23-12-26-53-55(46)48-22-8-10-25-51(48)66(53)54-37-60-36-44-20-13-33-61-56(44)54/h1-37H
• InChIKey: YNEVGMUGTGUDCC-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.99
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole?

The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole (CID 118149543) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole.

What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole?

The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5c5ccccc5n6-c5cncc6cccnc56)cc4)c3)n2)cc1.

What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole?

The InChIKey is YNEVGMUGTGUDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N7/c1-3-14-39(15-4-1)57-62-58(40-16-5-2-6-17-40)64-59(63-57)43-19-11-18-41(34-43)42-29-32-52-49(35-42)47-21-7-9-24-50(47)65(52)45-30-27-38(28-31-45)46-23-12-26-53-55(46)48-22-8-10-25-51(48)66(53)54-37-60-36-44-20-13-33-61-56(44)54/h1-37H.

What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole?

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole has a molecular weight of 843.99 g/mol, XLogP of 14.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole is sourced from PubChem (CID 118149543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).