11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione

C44H25N3O2 — CID 118390299

About 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione

11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione (PubChem CID 118390299) has the molecular formula C44H25N3O2 and a molecular weight of 627.70 g/mol. Its IUPAC name is 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione.

Molecular Properties

• Compound Name: 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
• PubChem CID: 118390299
• Molecular Formula: C44H25N3O2
• Molecular Weight: 627.70 g/mol
• Exact Mass: 627.19
• IUPAC Name: 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
• SMILES: O=c1c2ccccc2c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc3c4ccccc4c(=O)n1c23
• InChI: InChI=1S/C44H25N3O2/c48-43-32-17-6-4-14-28(32)35-24-27(25-36-29-15-5-7-18-33(29)44(49)47(43)41(35)36)46-37-20-10-8-16-30(37)31-22-23-39-40(42(31)46)34-19-9-11-21-38(34)45(39)26-12-2-1-3-13-26/h1-25H
• InChIKey: JDOVMKPFWSBSOV-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 48.41 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.70
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione?

The IUPAC name of 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione (CID 118390299) is 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione.

What is the SMILES notation for 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione?

The canonical SMILES for 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione is O=c1c2ccccc2c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc3c4ccccc4c(=O)n1c23.

What is the InChIKey of 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione?

The InChIKey is JDOVMKPFWSBSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O2/c48-43-32-17-6-4-14-28(32)35-24-27(25-36-29-15-5-7-18-33(29)44(49)47(43)41(35)36)46-37-20-10-8-16-30(37)31-22-23-39-40(42(31)46)34-19-9-11-21-38(34)45(39)26-12-2-1-3-13-26/h1-25H.

What are the key properties of 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione?

11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione has a molecular weight of 627.70 g/mol, XLogP of 9.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione is sourced from PubChem (CID 118390299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).