5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole

C54H34N4 — CID 156531095

About 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole

5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 156531095) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 156531095
• Molecular Formula: C54H34N4
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.28
• IUPAC Name: 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole
• SMILES: c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc34)n2)cc1
• InChI: InChI=1S/C54H34N4/c1-3-15-36(16-4-1)48-33-49(39-27-26-35-14-7-8-17-37(35)30-39)56-54(55-48)45-23-13-18-38-31-41(28-29-42(38)45)58-51-25-12-10-22-44(51)47-32-46-43-21-9-11-24-50(43)57(52(46)34-53(47)58)40-19-5-2-6-20-40/h1-34H
• InChIKey: WQVBSTQSBOPODZ-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 156531095) is 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc34)n2)cc1.

What is the InChIKey of 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole?

The InChIKey is WQVBSTQSBOPODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-15-36(16-4-1)48-33-49(39-27-26-35-14-7-8-17-37(35)30-39)56-54(55-48)45-23-13-18-38-31-41(28-29-42(38)45)58-51-25-12-10-22-44(51)47-32-46-43-21-9-11-24-50(43)57(52(46)34-53(47)58)40-19-5-2-6-20-40/h1-34H.

What are the key properties of 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole?

5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 156531095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).