9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C70H45N7 — CID 174268826

About 9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 174268826) has the molecular formula C70H45N7 and a molecular weight of 984.18 g/mol. Its IUPAC name is 9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 174268826
• Molecular Formula: C70H45N7
• Molecular Weight: 984.18 g/mol
• Exact Mass: 983.37
• IUPAC Name: 9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cc(-c4ccc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5ccccc5)c4)c4ccccc4c3)n2)cc1
• InChI: InChI=1S/C70H45N7/c1-5-22-46(23-6-1)61-44-51(40-41-57(61)56-34-15-16-37-60(56)70-75-66(48-26-9-3-10-27-48)71-67(76-70)49-28-11-4-12-29-49)62-45-53(42-50-30-13-14-33-55(50)62)69-73-65(47-24-7-2-8-25-47)72-68(74-69)52-31-21-32-54(43-52)77-63-38-19-17-35-58(63)59-36-18-20-39-64(59)77/h1-45H
• InChIKey: LQTLHHBQMLODBB-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.18
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 174268826) is 9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cc(-c4ccc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5ccccc5)c4)c4ccccc4c3)n2)cc1.

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

The InChIKey is LQTLHHBQMLODBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N7/c1-5-22-46(23-6-1)61-44-51(40-41-57(61)56-34-15-16-37-60(56)70-75-66(48-26-9-3-10-27-48)71-67(76-70)49-28-11-4-12-29-49)62-45-53(42-50-30-13-14-33-55(50)62)69-73-65(47-24-7-2-8-25-47)72-68(74-69)52-31-21-32-54(43-52)77-63-38-19-17-35-58(63)59-36-18-20-39-64(59)77/h1-45H.

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

9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 984.18 g/mol, XLogP of 17.31, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylphenyl]naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 174268826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).