7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole

C50H34N2 — CID 139481313

About 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole

7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole (PubChem CID 139481313) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
• PubChem CID: 139481313
• Molecular Formula: C50H34N2
• Molecular Weight: 662.84 g/mol
• Exact Mass: 662.27
• IUPAC Name: 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
• SMILES: C1=CCCC(n2c3ccc(-c4cccc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc45)cc3c3c4ccccc4ccc32)=C1
• InChI: InChI=1S/C50H34N2/c1-3-14-36(15-4-1)51-46-24-10-9-19-43(46)44-31-34(26-28-47(44)51)38-20-11-23-42-39(21-12-22-41(38)42)35-27-29-48-45(32-35)50-40-18-8-7-13-33(40)25-30-49(50)52(48)37-16-5-2-6-17-37/h1-5,7-16,18-32H,6,17H2
• InChIKey: YOMDLZACXIYFQD-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.84
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole?

The IUPAC name of 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole (CID 139481313) is 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole.

What is the SMILES notation for 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole?

The canonical SMILES for 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole is C1=CCCC(n2c3ccc(-c4cccc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc45)cc3c3c4ccccc4ccc32)=C1.

What is the InChIKey of 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole?

The InChIKey is YOMDLZACXIYFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-14-36(15-4-1)51-46-24-10-9-19-43(46)44-31-34(26-28-47(44)51)38-20-11-23-42-39(21-12-22-41(38)42)35-27-29-48-45(32-35)50-40-18-8-7-13-33(40)25-30-49(50)52(48)37-16-5-2-6-17-37/h1-5,7-16,18-32H,6,17H2.

What are the key properties of 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole?

7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole has a molecular weight of 662.84 g/mol, XLogP of 13.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole is sourced from PubChem (CID 139481313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).