6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole

C38H23NO — CID 177126978

About 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole

6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole (PubChem CID 177126978) has the molecular formula C38H23NO and a molecular weight of 509.61 g/mol. Its IUPAC name is 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole.

Molecular Properties

• Compound Name: 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole
• PubChem CID: 177126978
• Molecular Formula: C38H23NO
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.18
• IUPAC Name: 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4ccc5c6c(cccc46)-c4ccccc4O5)cc4ccccc4c32)cc1
• InChI: InChI=1S/C38H23NO/c1-2-12-25(13-3-1)39-33-19-8-6-16-31(33)37-32(23-24-11-4-5-14-26(24)38(37)39)27-21-22-35-36-29(27)17-10-18-30(36)28-15-7-9-20-34(28)40-35/h1-23H
• InChIKey: UMQBHLYWJHNSSI-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole?

The IUPAC name of 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole (CID 177126978) is 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole.

What is the SMILES notation for 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole?

The canonical SMILES for 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c6c(cccc46)-c4ccccc4O5)cc4ccccc4c32)cc1.

What is the InChIKey of 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole?

The InChIKey is UMQBHLYWJHNSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO/c1-2-12-25(13-3-1)39-33-19-8-6-16-31(33)37-32(23-24-11-4-5-14-26(24)38(37)39)27-21-22-35-36-29(27)17-10-18-30(36)28-15-7-9-20-34(28)40-35/h1-23H.

What are the key properties of 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole?

6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole has a molecular weight of 509.61 g/mol, XLogP of 10.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 177126978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).