15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C46H26N4O — CID 146360390

About 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 146360390) has the molecular formula C46H26N4O and a molecular weight of 650.74 g/mol. Its IUPAC name is 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 146360390
• Molecular Formula: C46H26N4O
• Molecular Weight: 650.74 g/mol
• Exact Mass: 650.21
• IUPAC Name: 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(ccc8ccccc87)c6)c45)nc-2c13
• InChI: InChI=1S/C46H26N4O/c1-2-11-30-27(10-1)20-21-28-26-29(22-23-31(28)30)49-37-16-6-3-12-32(37)33-24-25-39-42(45(33)49)34-13-4-7-17-38(34)50(39)46-47-36-15-9-19-41-43(36)44(48-46)35-14-5-8-18-40(35)51-41/h1-26H
• InChIKey: VEESBHVJQHCGDJ-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.74
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 146360390) is 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(ccc8ccccc87)c6)c45)nc-2c13.

What is the InChIKey of 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is VEESBHVJQHCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O/c1-2-11-30-27(10-1)20-21-28-26-29(22-23-31(28)30)49-37-16-6-3-12-32(37)33-24-25-39-42(45(33)49)34-13-4-7-17-38(34)50(39)46-47-36-15-9-19-41-43(36)44(48-46)35-14-5-8-18-40(35)51-41/h1-26H.

What are the key properties of 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 650.74 g/mol, XLogP of 11.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 146360390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).