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

C40H25N5 — CID 129074476

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

7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole (PubChem CID 129074476) has the molecular formula C40H25N5 and a molecular weight of 575.68 g/mol. Its IUPAC name is 7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole
• PubChem CID: 129074476
• Molecular Formula: C40H25N5
• Molecular Weight: 575.68 g/mol
• Exact Mass: 575.21
• IUPAC Name: 7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)nc3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C40H25N5/c1-2-12-28(13-3-1)38-42-39(30-19-18-26-10-4-5-14-29(26)24-30)44-40(43-38)31-21-23-36(41-25-31)45-34-17-9-8-16-33(34)37-32-15-7-6-11-27(32)20-22-35(37)45/h1-25H
• InChIKey: BNMLMRHHVXGUOS-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.68
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole (CID 129074476) is 7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole.

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

The canonical SMILES for 7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)nc3)nc(-c3ccc4ccccc4c3)n2)cc1.

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

The InChIKey is BNMLMRHHVXGUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5/c1-2-12-28(13-3-1)38-42-39(30-19-18-26-10-4-5-14-29(26)24-30)44-40(43-38)31-21-23-36(41-25-31)45-34-17-9-8-16-33(34)37-32-15-7-6-11-27(32)20-22-35(37)45/h1-25H.

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

7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole has a molecular weight of 575.68 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole is sourced from PubChem (CID 129074476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).