6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one

C43H25NO2 — CID 134428388

About 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one

6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one (PubChem CID 134428388) has the molecular formula C43H25NO2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one
• PubChem CID: 134428388
• Molecular Formula: C43H25NO2
• Molecular Weight: 587.68 g/mol
• Exact Mass: 587.19
• IUPAC Name: 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one
• SMILES: O=c1c2ccccc2oc2cc3c(cc12)-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-c1ccccc1-3
• InChI: InChI=1S/C43H25NO2/c45-43-33-18-7-10-23-40(33)46-41-25-35-28-14-2-1-12-26(28)27-13-3-4-17-31(27)42-32(34(35)24-36(41)43)19-11-22-39(42)44-37-20-8-5-15-29(37)30-16-6-9-21-38(30)44/h1-25H/b27-26-,34-32-,35-28-,42-31+
• InChIKey: TVUMZOXQWPGCMP-SXXRIJRWSA-N
• XLogP: 11.02
• TPSA: 35.14 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.68
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one?

The IUPAC name of 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one (CID 134428388) is 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one.

What is the SMILES notation for 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one?

The canonical SMILES for 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one is O=c1c2ccccc2oc2cc3c(cc12)-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-c1ccccc1-3.

What is the InChIKey of 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one?

The InChIKey is TVUMZOXQWPGCMP-SXXRIJRWSA-N. The full InChI is InChI=1S/C43H25NO2/c45-43-33-18-7-10-23-40(33)46-41-25-35-28-14-2-1-12-26(28)27-13-3-4-17-31(27)42-32(34(35)24-36(41)43)19-11-22-39(42)44-37-20-8-5-15-29(37)30-16-6-9-21-38(30)44/h1-25H/b27-26-,34-32-,35-28-,42-31+.

What are the key properties of 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one?

6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one has a molecular weight of 587.68 g/mol, XLogP of 11.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one is sourced from PubChem (CID 134428388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).