9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane

C205H140S4 — CID 160891252

About 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane

9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane (PubChem CID 160891252) has the molecular formula C205H140S4 and a molecular weight of 2731.64 g/mol. Its IUPAC name is 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane.

Molecular Properties

• Compound Name: 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane
• PubChem CID: 160891252
• Molecular Formula: C205H140S4
• Molecular Weight: 2731.64 g/mol
• Exact Mass: 2728.98
• IUPAC Name: 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane
• SMILES: C.CC1(C)c2cc3ccccc3cc2-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(sc4ccccc43)c21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)cc2-c2c1ccc1c2sc2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1sc3c4ccccc4ccc3c21.CC1(C)c2ccccc2-c2cc3c(sc4ccc5ccccc5c43)c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21
• InChI: InChI=1S/4C51H34S.CH4/c1-51(2)43-23-13-12-18-36(43)41-30-42-48-35-17-7-6-14-31(35)28-29-44(48)52-50(42)47(49(41)51)34-26-24-33(25-27-34)46-39-21-10-8-19-37(39)45(32-15-4-3-5-16-32)38-20-9-11-22-40(38)46;1-51(2)43-23-13-12-22-40(43)48-47-41-29-28-31-14-6-7-17-35(31)50(41)52-44(47)30-42(49(48)51)32-24-26-34(27-25-32)46-38-20-10-8-18-36(38)45(33-15-4-3-5-16-33)37-19-9-11-21-39(37)46;1-51(2)44-29-35-17-7-6-16-34(35)28-42(44)43-30-41(48-40-22-12-13-23-45(40)52-50(48)49(43)51)31-24-26-33(27-25-31)47-38-20-10-8-18-36(38)46(32-14-4-3-5-15-32)37-19-9-11-21-39(37)47;1-51(2)43-26-23-34(30-42(43)49-44(51)27-25-41-48-36-18-7-6-13-31(36)24-28-45(48)52-50(41)49)33-16-12-17-35(29-33)47-39-21-10-8-19-37(39)46(32-14-4-3-5-15-32)38-20-9-11-22-40(38)47;/h4*3-30H,1-2H3;1H4
• InChIKey: SOHJPFUSRGGTOW-UHFFFAOYSA-N
• XLogP: 59.92
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2731.64
LogP ≤ 5	59.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane?

The IUPAC name of 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane (CID 160891252) is 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane.

What is the SMILES notation for 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane?

The canonical SMILES for 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane is C.CC1(C)c2cc3ccccc3cc2-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(sc4ccccc43)c21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)cc2-c2c1ccc1c2sc2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1sc3c4ccccc4ccc3c21.CC1(C)c2ccccc2-c2cc3c(sc4ccc5ccccc5c43)c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21.

What is the InChIKey of 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane?

The InChIKey is SOHJPFUSRGGTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C51H34S.CH4/c1-51(2)43-23-13-12-18-36(43)41-30-42-48-35-17-7-6-14-31(35)28-29-44(48)52-50(42)47(49(41)51)34-26-24-33(25-27-34)46-39-21-10-8-19-37(39)45(32-15-4-3-5-16-32)38-20-9-11-22-40(38)46;1-51(2)43-23-13-12-22-40(43)48-47-41-29-28-31-14-6-7-17-35(31)50(41)52-44(47)30-42(49(48)51)32-24-26-34(27-25-32)46-38-20-10-8-18-36(38)45(33-15-4-3-5-16-33)37-19-9-11-21-39(37)46;1-51(2)44-29-35-17-7-6-16-34(35)28-42(44)43-30-41(48-40-22-12-13-23-45(40)52-50(48)49(43)51)31-24-26-33(27-25-31)47-38-20-10-8-18-36(38)46(32-14-4-3-5-15-32)37-19-9-11-21-39(37)47;1-51(2)43-26-23-34(30-42(43)49-44(51)27-25-41-48-36-18-7-6-13-31(36)24-28-45(48)52-50(41)49)33-16-12-17-35(29-33)47-39-21-10-8-19-37(39)46(32-14-4-3-5-15-32)38-20-9-11-22-40(38)47;/h4*3-30H,1-2H3;1H4.

What are the key properties of 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane?

9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane has a molecular weight of 2731.64 g/mol, XLogP of 59.92, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;methane is sourced from PubChem (CID 160891252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).