8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine

C52H33N5O — CID 163985075

About 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine

8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 163985075) has the molecular formula C52H33N5O and a molecular weight of 743.87 g/mol. Its IUPAC name is 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 163985075
• Molecular Formula: C52H33N5O
• Molecular Weight: 743.87 g/mol
• Exact Mass: 743.27
• IUPAC Name: 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
• SMILES: c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)c5oc6cnccc6c45)c4ccccc34)=N2)cc1
• InChI: InChI=1S/C52H33N5O/c1-3-14-33(15-4-1)50-54-51(34-16-5-2-6-17-34)56-52(55-50)40-25-24-38(36-19-9-10-20-37(36)40)39-26-28-45(49-48(39)42-29-30-53-31-46(42)58-49)57-43-22-12-11-21-41(43)47-35-18-8-7-13-32(35)23-27-44(47)57/h1-31,50H,(H,54,55,56)
• InChIKey: TVOXAMXHFZSKAC-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 67.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.87
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine (CID 163985075) is 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)c5oc6cnccc6c45)c4ccccc34)=N2)cc1.

What is the InChIKey of 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?

The InChIKey is TVOXAMXHFZSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5O/c1-3-14-33(15-4-1)50-54-51(34-16-5-2-6-17-34)56-52(55-50)40-25-24-38(36-19-9-10-20-37(36)40)39-26-28-45(49-48(39)42-29-30-53-31-46(42)58-49)57-43-22-12-11-21-41(43)47-35-18-8-7-13-32(35)23-27-44(47)57/h1-31,50H,(H,54,55,56).

What are the key properties of 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?

8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 743.87 g/mol, XLogP of 12.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzo[c]carbazol-7-yl-5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 163985075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).