10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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

C51H31N3OS — CID 129297284

About 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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

10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 129297284) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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: 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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: 129297284
• Molecular Formula: C51H31N3OS
• Molecular Weight: 733.90 g/mol
• Exact Mass: 733.22
• IUPAC Name: 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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: CC1(C)c2ccccc2-c2ccc(-c3ccc4nc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)nc5c4c3Oc3ccccc3-5)cc21
• InChI: InChI=1S/C51H31N3OS/c1-51(2)37-19-9-5-13-30(37)31-24-23-28(27-38(31)51)29-25-26-39-45-46(35-17-7-11-21-41(35)55-48(29)45)53-50(52-39)54-40-20-10-6-16-34(40)43-32-14-3-4-15-33(32)44-36-18-8-12-22-42(36)56-49(44)47(43)54/h3-27H,1-2H3
• InChIKey: AKDYFBGFSKFLAB-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 39.94 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.90
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 129297284) is 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 CC1(C)c2ccccc2-c2ccc(-c3ccc4nc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)nc5c4c3Oc3ccccc3-5)cc21.

What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 AKDYFBGFSKFLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-51(2)37-19-9-5-13-30(37)31-24-23-28(27-38(31)51)29-25-26-39-45-46(35-17-7-11-21-41(35)55-48(29)45)53-50(52-39)54-40-20-10-6-16-34(40)43-32-14-3-4-15-33(32)44-36-18-8-12-22-42(36)56-49(44)47(43)54/h3-27H,1-2H3.

What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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?

10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 733.90 g/mol, XLogP of 13.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(9,9-dimethylfluoren-2-yl)-15-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-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 129297284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).