7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole

C58H37N3 — CID 130350827

About 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole

7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole (PubChem CID 130350827) has the molecular formula C58H37N3 and a molecular weight of 775.96 g/mol. Its IUPAC name is 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
• PubChem CID: 130350827
• Molecular Formula: C58H37N3
• Molecular Weight: 775.96 g/mol
• Exact Mass: 775.30
• IUPAC Name: 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6cc(-c7ccc8ccc(-c9ccc%10ccccc%10c9)cc8c7)ccc6ccc54)cc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C58H37N3/c1-3-12-41(13-4-1)53-37-54(60-58(59-53)43-14-5-2-6-15-43)42-27-30-50(31-28-42)61-55-18-10-9-17-51(55)57-52-36-48(26-22-40(52)29-32-56(57)61)47-25-21-39-20-24-46(34-49(39)35-47)45-23-19-38-11-7-8-16-44(38)33-45/h1-37H
• InChIKey: NWGKCBAWKOVNIJ-UHFFFAOYSA-N
• XLogP: 15.37
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.96
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole?

The IUPAC name of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole (CID 130350827) is 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole.

What is the SMILES notation for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole?

The canonical SMILES for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6cc(-c7ccc8ccc(-c9ccc%10ccccc%10c9)cc8c7)ccc6ccc54)cc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole?

The InChIKey is NWGKCBAWKOVNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3/c1-3-12-41(13-4-1)53-37-54(60-58(59-53)43-14-5-2-6-15-43)42-27-30-50(31-28-42)61-55-18-10-9-17-51(55)57-52-36-48(26-22-40(52)29-32-56(57)61)47-25-21-39-20-24-46(34-49(39)35-47)45-23-19-38-11-7-8-16-44(38)33-45/h1-37H.

What are the key properties of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole?

7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole has a molecular weight of 775.96 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 130350827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).