15-(9-phenylpyrrolo[2,3-b]carbazol-1-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

C34H20N4O — CID 129297267

About 15-(9-phenylpyrrolo[2,3-b]carbazol-1-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-(9-phenylpyrrolo[2,3-b]carbazol-1-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 129297267) has the molecular formula C34H20N4O and a molecular weight of 500.56 g/mol. Its IUPAC name is 15-(9-phenylpyrrolo[2,3-b]carbazol-1-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-(9-phenylpyrrolo[2,3-b]carbazol-1-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: 129297267
• Molecular Formula: C34H20N4O
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.16
• IUPAC Name: 15-(9-phenylpyrrolo[2,3-b]carbazol-1-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: c1ccc(-n2c3ccccc3c3cc4ccn(-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c4cc32)cc1
• InChI: InChI=1S/C34H20N4O/c1-2-9-22(10-3-1)38-27-14-6-4-11-23(27)25-19-21-17-18-37(28(21)20-29(25)38)34-35-26-13-8-16-31-32(26)33(36-34)24-12-5-7-15-30(24)39-31/h1-20H
• InChIKey: GXQAVFIENXLYGK-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-(9-phenylpyrrolo[2,3-b]carbazol-1-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-(9-phenylpyrrolo[2,3-b]carbazol-1-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 129297267) is 15-(9-phenylpyrrolo[2,3-b]carbazol-1-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-(9-phenylpyrrolo[2,3-b]carbazol-1-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-(9-phenylpyrrolo[2,3-b]carbazol-1-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 c1ccc(-n2c3ccccc3c3cc4ccn(-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c4cc32)cc1.

What is the InChIKey of 15-(9-phenylpyrrolo[2,3-b]carbazol-1-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 GXQAVFIENXLYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O/c1-2-9-22(10-3-1)38-27-14-6-4-11-23(27)25-19-21-17-18-37(28(21)20-29(25)38)34-35-26-13-8-16-31-32(26)33(36-34)24-12-5-7-15-30(24)39-31/h1-20H.

What are the key properties of 15-(9-phenylpyrrolo[2,3-b]carbazol-1-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-(9-phenylpyrrolo[2,3-b]carbazol-1-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 500.56 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(9-phenylpyrrolo[2,3-b]carbazol-1-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 129297267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).