1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C60H36N4 — CID 146375469

About 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375469) has the molecular formula C60H36N4 and a molecular weight of 812.98 g/mol. Its IUPAC name is 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 146375469
• Molecular Formula: C60H36N4
• Molecular Weight: 812.98 g/mol
• Exact Mass: 812.29
• IUPAC Name: 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc2cc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c(-n7c8ccccc8c8c9ccccc9ccc87)cccc65)c5ccccc45)nc4ccccc34)ccc2c1
• InChI: InChI=1S/C60H36N4/c1-2-16-39-34-42(29-28-37(39)14-1)59-47-22-9-11-24-50(47)61-60(62-59)46-31-33-52(45-21-8-7-20-44(45)46)64-54-27-13-26-53(58(54)49-35-40-17-3-4-18-41(40)36-56(49)64)63-51-25-12-10-23-48(51)57-43-19-6-5-15-38(43)30-32-55(57)63/h1-36H
• InChIKey: YUZQFDCACJQRIF-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.98
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146375469) is 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

What is the SMILES notation for 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The canonical SMILES for 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c(-n7c8ccccc8c8c9ccccc9ccc87)cccc65)c5ccccc45)nc4ccccc34)ccc2c1.

What is the InChIKey of 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The InChIKey is YUZQFDCACJQRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4/c1-2-16-39-34-42(29-28-37(39)14-1)59-47-22-9-11-24-50(47)61-60(62-59)46-31-33-52(45-21-8-7-20-44(45)46)64-54-27-13-26-53(58(54)49-35-40-17-3-4-18-41(40)36-56(49)64)63-51-25-12-10-23-48(51)57-43-19-6-5-15-38(43)30-32-55(57)63/h1-36H.

What are the key properties of 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 812.98 g/mol, XLogP of 15.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).