15-(7-dibenzothiophen-3-ylindolo[2,3-b]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

C44H24N4OS — CID 153469976

About 15-(7-dibenzothiophen-3-ylindolo[2,3-b]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-(7-dibenzothiophen-3-ylindolo[2,3-b]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 153469976) has the molecular formula C44H24N4OS and a molecular weight of 656.77 g/mol. Its IUPAC name is 15-(7-dibenzothiophen-3-ylindolo[2,3-b]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-(7-dibenzothiophen-3-ylindolo[2,3-b]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: 153469976
• Molecular Formula: C44H24N4OS
• Molecular Weight: 656.77 g/mol
• Exact Mass: 656.17
• IUPAC Name: 15-(7-dibenzothiophen-3-ylindolo[2,3-b]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(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc8c(c7)sc7ccccc78)c6cc54)nc-2c13
• InChI: InChI=1S/C44H24N4OS/c1-5-15-34-26(10-1)31-23-32-27-11-2-6-16-35(27)48(44-45-33-14-9-18-39-42(33)43(46-44)30-13-3-7-17-38(30)49-39)37(32)24-36(31)47(34)25-20-21-29-28-12-4-8-19-40(28)50-41(29)22-25/h1-24H
• InChIKey: GRONWYZTYHYXAI-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 44.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.77
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 15-(7-dibenzothiophen-3-ylindolo[2,3-b]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-(7-dibenzothiophen-3-ylindolo[2,3-b]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 153469976) is 15-(7-dibenzothiophen-3-ylindolo[2,3-b]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-(7-dibenzothiophen-3-ylindolo[2,3-b]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-(7-dibenzothiophen-3-ylindolo[2,3-b]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(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc8c(c7)sc7ccccc78)c6cc54)nc-2c13.

What is the InChIKey of 15-(7-dibenzothiophen-3-ylindolo[2,3-b]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 GRONWYZTYHYXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4OS/c1-5-15-34-26(10-1)31-23-32-27-11-2-6-16-35(27)48(44-45-33-14-9-18-39-42(33)43(46-44)30-13-3-7-17-38(30)49-39)37(32)24-36(31)47(34)25-20-21-29-28-12-4-8-19-40(28)50-41(29)22-25/h1-24H.

What are the key properties of 15-(7-dibenzothiophen-3-ylindolo[2,3-b]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-(7-dibenzothiophen-3-ylindolo[2,3-b]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 656.77 g/mol, XLogP of 11.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(7-dibenzothiophen-3-ylindolo[2,3-b]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 153469976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).