10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole

C57H36N4 — CID 167031903

About 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole

10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole (PubChem CID 167031903) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
• PubChem CID: 167031903
• Molecular Formula: C57H36N4
• Molecular Weight: 776.94 g/mol
• Exact Mass: 776.29
• IUPAC Name: 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7c8ccccc8ccc76)c6ccccc56)n4)ccc3c2)cc1
• InChI: InChI=1S/C57H36N4/c1-4-14-37(15-5-1)41-24-25-43-35-45(27-26-42(43)34-41)56-58-55(40-19-8-3-9-20-40)59-57(60-56)49-30-33-51(48-23-13-12-22-47(48)49)61-52-31-29-44(38-16-6-2-7-17-38)36-50(52)54-46-21-11-10-18-39(46)28-32-53(54)61/h1-36H
• InChIKey: GUDIIWNPNMPGGQ-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.94
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole?

The IUPAC name of 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole (CID 167031903) is 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole.

What is the SMILES notation for 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole?

The canonical SMILES for 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7c8ccccc8ccc76)c6ccccc56)n4)ccc3c2)cc1.

What is the InChIKey of 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole?

The InChIKey is GUDIIWNPNMPGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-4-14-37(15-5-1)41-24-25-43-35-45(27-26-42(43)34-41)56-58-55(40-19-8-3-9-20-40)59-57(60-56)49-30-33-51(48-23-13-12-22-47(48)49)61-52-31-29-44(38-16-6-2-7-17-38)36-50(52)54-46-21-11-10-18-39(46)28-32-53(54)61/h1-36H.

What are the key properties of 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole?

10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole has a molecular weight of 776.94 g/mol, XLogP of 14.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole is sourced from PubChem (CID 167031903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).