26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene

C59H36S2 — CID 164741774

About 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene

26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene (PubChem CID 164741774) has the molecular formula C59H36S2 and a molecular weight of 809.07 g/mol. Its IUPAC name is 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene.

Molecular Properties

• Compound Name: 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene
• PubChem CID: 164741774
• Molecular Formula: C59H36S2
• Molecular Weight: 809.07 g/mol
• Exact Mass: 808.23
• IUPAC Name: 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene
• SMILES: CC1(C)c2ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8sc9cc%10ccccc%10cc9c8c67)cc5c4c3)cc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C59H36S2/c1-59(2)50-22-17-37(30-48(50)56-40-12-6-5-9-33(40)16-23-51(56)59)39-19-25-53-47(29-39)46-28-38(18-24-52(46)60-53)36-15-20-44-45(27-36)42-14-8-7-13-41(42)43-21-26-54-58(57(43)44)49-31-34-10-3-4-11-35(34)32-55(49)61-54/h3-32H,1-2H3
• InChIKey: FNKXNLQXGJFLGB-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.07
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene?

The IUPAC name of 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene (CID 164741774) is 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene.

What is the SMILES notation for 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene?

The canonical SMILES for 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene is CC1(C)c2ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8sc9cc%10ccccc%10cc9c8c67)cc5c4c3)cc2-c2c1ccc1ccccc21.

What is the InChIKey of 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene?

The InChIKey is FNKXNLQXGJFLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36S2/c1-59(2)50-22-17-37(30-48(50)56-40-12-6-5-9-33(40)16-23-51(56)59)39-19-25-53-47(29-39)46-28-38(18-24-52(46)60-53)36-15-20-44-45(27-36)42-14-8-7-13-41(42)43-21-26-54-58(57(43)44)49-31-34-10-3-4-11-35(34)32-55(49)61-54/h3-32H,1-2H3.

What are the key properties of 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene?

26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene has a molecular weight of 809.07 g/mol, XLogP of 17.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-thiaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene is sourced from PubChem (CID 164741774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).