6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine

C65H46N6 — CID 147484515

About 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine

6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine (PubChem CID 147484515) has the molecular formula C65H46N6 and a molecular weight of 911.13 g/mol. Its IUPAC name is 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine.

Molecular Properties

• Compound Name: 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
• PubChem CID: 147484515
• Molecular Formula: C65H46N6
• Molecular Weight: 911.13 g/mol
• Exact Mass: 910.38
• IUPAC Name: 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(CCc4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C65H46N6/c1-6-20-47(21-7-1)63-66-64(48-22-8-2-9-23-48)68-65(67-63)49-24-18-19-45(41-49)33-34-46-35-38-60-56(42-46)58-43-53(69(50-25-10-3-11-26-50)51-27-12-4-13-28-51)36-39-62(58)71(60)54-37-40-61-57(44-54)55-31-16-17-32-59(55)70(61)52-29-14-5-15-30-52/h1-32,35-44H,33-34H2
• InChIKey: FEHSCMGWSDWAIG-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.13
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine?

The IUPAC name of 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine (CID 147484515) is 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine.

What is the SMILES notation for 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine?

The canonical SMILES for 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(CCc4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1.

What is the InChIKey of 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine?

The InChIKey is FEHSCMGWSDWAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N6/c1-6-20-47(21-7-1)63-66-64(48-22-8-2-9-23-48)68-65(67-63)49-24-18-19-45(41-49)33-34-46-35-38-60-56(42-46)58-43-53(69(50-25-10-3-11-26-50)51-27-12-4-13-28-51)36-39-62(58)71(60)54-37-40-61-57(44-54)55-31-16-17-32-59(55)70(61)52-29-14-5-15-30-52/h1-32,35-44H,33-34H2.

What are the key properties of 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine?

6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine has a molecular weight of 911.13 g/mol, XLogP of 16.32, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine is sourced from PubChem (CID 147484515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).