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

C61H39N5 — CID 139303855

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

9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 139303855) has the molecular formula C61H39N5 and a molecular weight of 842.02 g/mol. Its IUPAC name is 9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 139303855
• Molecular Formula: C61H39N5
• Molecular Weight: 842.02 g/mol
• Exact Mass: 841.32
• IUPAC Name: 9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4-n4c5ccccc5c5ccccc54)ccc3c2)cc1
• InChI: InChI=1S/C61H39N5/c1-3-16-40(17-4-1)42-30-31-44-37-45(33-32-43(44)36-42)49-35-34-47(39-58(49)66-56-28-13-9-24-52(56)53-25-10-14-29-57(53)66)61-63-59(41-18-5-2-6-19-41)62-60(64-61)46-20-15-21-48(38-46)65-54-26-11-7-22-50(54)51-23-8-12-27-55(51)65/h1-39H
• InChIKey: INEMFPCOADAESZ-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.02
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 139303855) is 9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4-n4c5ccccc5c5ccccc54)ccc3c2)cc1.

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

The InChIKey is INEMFPCOADAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N5/c1-3-16-40(17-4-1)42-30-31-44-37-45(33-32-43(44)36-42)49-35-34-47(39-58(49)66-56-28-13-9-24-52(56)53-25-10-14-29-57(53)66)61-63-59(41-18-5-2-6-19-41)62-60(64-61)46-20-15-21-48(38-46)65-54-26-11-7-22-50(54)51-23-8-12-27-55(51)65/h1-39H.

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

9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 842.02 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 139303855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).