8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole

C63H42N4 — CID 159103905

About 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole

8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole (PubChem CID 159103905) has the molecular formula C63H42N4 and a molecular weight of 855.06 g/mol. Its IUPAC name is 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole.

Molecular Properties

• Compound Name: 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
• PubChem CID: 159103905
• Molecular Formula: C63H42N4
• Molecular Weight: 855.06 g/mol
• Exact Mass: 854.34
• IUPAC Name: 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
• SMILES: C1=CC2c3cccc(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)nc(-c6ccc(-c7cccc8ccccc78)c7ccccc67)n5)cc4)c3N(c3ccccc3)C2C=C1
• InChI: InChI=1S/C63H42N4/c1-2-19-47(20-3-1)67-59-30-11-10-25-56(59)57-29-14-27-51(60(57)67)44-33-37-46(38-34-44)62-64-61(45-35-31-43(32-36-45)49-26-12-17-41-15-4-6-21-48(41)49)65-63(66-62)58-40-39-55(53-23-8-9-24-54(53)58)52-28-13-18-42-16-5-7-22-50(42)52/h1-40,56,59H
• InChIKey: UZDGGYXGABFPIF-UHFFFAOYSA-N
• XLogP: 16.06
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.06
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole?

The IUPAC name of 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole (CID 159103905) is 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole.

What is the SMILES notation for 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole?

The canonical SMILES for 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole is C1=CC2c3cccc(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)nc(-c6ccc(-c7cccc8ccccc78)c7ccccc67)n5)cc4)c3N(c3ccccc3)C2C=C1.

What is the InChIKey of 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole?

The InChIKey is UZDGGYXGABFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4/c1-2-19-47(20-3-1)67-59-30-11-10-25-56(59)57-29-14-27-51(60(57)67)44-33-37-46(38-34-44)62-64-61(45-35-31-43(32-36-45)49-26-12-17-41-15-4-6-21-48(41)49)65-63(66-62)58-40-39-55(53-23-8-9-24-54(53)58)52-28-13-18-42-16-5-7-22-50(42)52/h1-40,56,59H.

What are the key properties of 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole?

8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole has a molecular weight of 855.06 g/mol, XLogP of 16.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 159103905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).