7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene

C51H32S2 — CID 130214065

About 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene

7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene (PubChem CID 130214065) has the molecular formula C51H32S2 and a molecular weight of 708.95 g/mol. Its IUPAC name is 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene.

Molecular Properties

• Compound Name: 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene
• PubChem CID: 130214065
• Molecular Formula: C51H32S2
• Molecular Weight: 708.95 g/mol
• Exact Mass: 708.19
• IUPAC Name: 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5sc6c7cc8c(cc7ccc6c5c4)sc4ccccc48)c4ccccc34)ccc21
• InChI: InChI=1S/C51H32S2/c1-51(2)43-17-9-7-11-32(43)40-25-30(20-23-44(40)51)48-34-13-3-5-15-36(34)49(37-16-6-4-14-35(37)48)31-21-24-46-41(26-31)38-22-19-29-27-47-42(28-39(29)50(38)53-46)33-12-8-10-18-45(33)52-47/h3-28H,1-2H3
• InChIKey: KIQUYMOCUMAWNV-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.95
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene?

The IUPAC name of 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene (CID 130214065) is 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene.

What is the SMILES notation for 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene?

The canonical SMILES for 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5sc6c7cc8c(cc7ccc6c5c4)sc4ccccc48)c4ccccc34)ccc21.

What is the InChIKey of 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene?

The InChIKey is KIQUYMOCUMAWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32S2/c1-51(2)43-17-9-7-11-32(43)40-25-30(20-23-44(40)51)48-34-13-3-5-15-36(34)49(37-16-6-4-14-35(37)48)31-21-24-46-41(26-31)38-22-19-29-27-47-42(28-39(29)50(38)53-46)33-12-8-10-18-45(33)52-47/h3-28H,1-2H3.

What are the key properties of 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene?

7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene has a molecular weight of 708.95 g/mol, XLogP of 15.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 130214065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).