5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole

C51H31N7 — CID 134427122

About 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole

5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 134427122) has the molecular formula C51H31N7 and a molecular weight of 741.86 g/mol. Its IUPAC name is 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 134427122
• Molecular Formula: C51H31N7
• Molecular Weight: 741.86 g/mol
• Exact Mass: 741.26
• IUPAC Name: 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ncc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cn5)c4cc32)cc1
• InChI: InChI=1S/C51H31N7/c1-2-18-35(19-3-1)57-44-26-10-8-22-38(44)42-28-43-39-23-9-11-27-45(39)58(47(43)29-46(42)57)51-52-30-34(31-53-51)48-54-49(40-24-12-16-32-14-4-6-20-36(32)40)56-50(55-48)41-25-13-17-33-15-5-7-21-37(33)41/h1-31H
• InChIKey: GWVUEFAURRWELH-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.86
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 134427122) is 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ncc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cn5)c4cc32)cc1.

What is the InChIKey of 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The InChIKey is GWVUEFAURRWELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N7/c1-2-18-35(19-3-1)57-44-26-10-8-22-38(44)42-28-43-39-23-9-11-27-45(39)58(47(43)29-46(42)57)51-52-30-34(31-53-51)48-54-49(40-24-12-16-32-14-4-6-20-36(32)40)56-50(55-48)41-25-13-17-33-15-5-7-21-37(33)41/h1-31H.

What are the key properties of 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole?

5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 741.86 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 134427122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).