9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C59H38N4 — CID 177283316

About 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177283316) has the molecular formula C59H38N4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 177283316
• Molecular Formula: C59H38N4
• Molecular Weight: 802.98 g/mol
• Exact Mass: 802.31
• IUPAC Name: 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccc5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5c4)n3)cc2)cc1
• InChI: InChI=1S/C59H38N4/c1-3-14-39(15-4-1)40-28-32-44(33-29-40)57-60-58(46-20-11-21-49(38-46)63-54-26-9-7-22-52(54)53-23-8-10-27-55(53)63)62-59(61-57)47-35-31-41-30-34-45(36-48(41)37-47)51-25-13-19-43-18-12-24-50(56(43)51)42-16-5-2-6-17-42/h1-38H
• InChIKey: MHZWDQDUBNWYLE-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.98
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177283316) is 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccc5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5c4)n3)cc2)cc1.

What is the InChIKey of 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is MHZWDQDUBNWYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4/c1-3-14-39(15-4-1)40-28-32-44(33-29-40)57-60-58(46-20-11-21-49(38-46)63-54-26-9-7-22-52(54)53-23-8-10-27-55(53)63)62-59(61-57)47-35-31-41-30-34-45(36-48(41)37-47)51-25-13-19-43-18-12-24-50(56(43)51)42-16-5-2-6-17-42/h1-38H.

What are the key properties of 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 802.98 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177283316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).