19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C57H36S2 — CID 130186494

About 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 130186494) has the molecular formula C57H36S2 and a molecular weight of 785.05 g/mol. Its IUPAC name is 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• PubChem CID: 130186494
• Molecular Formula: C57H36S2
• Molecular Weight: 785.05 g/mol
• Exact Mass: 784.23
• IUPAC Name: 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)sc5c7ccc6sc7ccccc7c65)cc4)c4ccccc34)cc21
• InChI: InChI=1S/C57H36S2/c1-57(2)48-17-9-7-11-39(48)40-26-25-37(31-49(40)57)54-43-14-5-3-12-41(43)53(42-13-4-6-15-44(42)54)34-21-19-33(20-22-34)35-23-24-36-30-47-45-27-28-51-55(46-16-8-10-18-50(46)58-51)56(45)59-52(47)32-38(36)29-35/h3-32H,1-2H3
• InChIKey: GSVUYYRJZWPQLL-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.05
LogP ≤ 5	17.19
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 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The IUPAC name of 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 130186494) is 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The canonical SMILES for 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)sc5c7ccc6sc7ccccc7c65)cc4)c4ccccc34)cc21.

What is the InChIKey of 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The InChIKey is GSVUYYRJZWPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36S2/c1-57(2)48-17-9-7-11-39(48)40-26-25-37(31-49(40)57)54-43-14-5-3-12-41(43)53(42-13-4-6-15-44(42)54)34-21-19-33(20-22-34)35-23-24-36-30-47-45-27-28-51-55(46-16-8-10-18-50(46)58-51)56(45)59-52(47)32-38(36)29-35/h3-32H,1-2H3.

What are the key properties of 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 785.05 g/mol, XLogP of 17.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 130186494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).