14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C61H41NS — CID 153278201

About 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 153278201) has the molecular formula C61H41NS and a molecular weight of 820.07 g/mol. Its IUPAC name is 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 153278201
• Molecular Formula: C61H41NS
• Molecular Weight: 820.07 g/mol
• Exact Mass: 819.30
• IUPAC Name: 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2N(c2cccc3c2C(C)(C)c2c-3ccc3c2-c2ccc4c5c(ccc(c25)C32c3ccccc3-c3ccccc32)C=C4)c2cc3sc4ccccc4c3cc21
• InChI: InChI=1S/C61H41NS/c1-59(2)45-20-10-11-21-49(45)62(51-33-53-42(32-48(51)59)38-16-7-12-23-52(38)63-53)50-22-13-17-39-40-29-31-47-56(58(40)60(3,4)57(39)50)41-28-26-34-24-25-35-27-30-46(55(41)54(34)35)61(47)43-18-8-5-14-36(43)37-15-6-9-19-44(37)61/h5-33H,1-4H3
• InChIKey: JSZRUZZVNYPJER-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.07
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153278201) is 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1(C)c2ccccc2N(c2cccc3c2C(C)(C)c2c-3ccc3c2-c2ccc4c5c(ccc(c25)C32c3ccccc3-c3ccccc32)C=C4)c2cc3sc4ccccc4c3cc21.

What is the InChIKey of 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is JSZRUZZVNYPJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS/c1-59(2)45-20-10-11-21-49(45)62(51-33-53-42(32-48(51)59)38-16-7-12-23-52(38)63-53)50-22-13-17-39-40-29-31-47-56(58(40)60(3,4)57(39)50)41-28-26-34-24-25-35-27-30-46(55(41)54(34)35)61(47)43-18-8-5-14-36(43)37-15-6-9-19-44(37)61/h5-33H,1-4H3.

What are the key properties of 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 820.07 g/mol, XLogP of 16.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl)-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 153278201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).