15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C35H23N3S — CID 129297667

About 15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297667) has the molecular formula C35H23N3S and a molecular weight of 517.66 g/mol. Its IUPAC name is 15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-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-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 129297667
• Molecular Formula: C35H23N3S
• Molecular Weight: 517.66 g/mol
• Exact Mass: 517.16
• IUPAC Name: 15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc5c6c(cccc6n4)Sc4ccccc4-5)c3cc21
• InChI: InChI=1S/C35H23N3S/c1-35(2)25-13-6-3-10-20(25)23-18-24-21-11-4-7-15-28(21)38(29(24)19-26(23)35)34-36-27-14-9-17-31-32(27)33(37-34)22-12-5-8-16-30(22)39-31/h3-19H,1-2H3
• InChIKey: DAPWIQSZQZCWTP-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.66
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-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-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297667) is 15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-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-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-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-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc5c6c(cccc6n4)Sc4ccccc4-5)c3cc21.

What is the InChIKey of 15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-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 DAPWIQSZQZCWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3S/c1-35(2)25-13-6-3-10-20(25)23-18-24-21-11-4-7-15-28(21)38(29(24)19-26(23)35)34-36-27-14-9-17-31-32(27)33(37-34)22-12-5-8-16-30(22)39-31/h3-19H,1-2H3.

What are the key properties of 15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-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 517.66 g/mol, XLogP of 9.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-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 129297667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).