9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene

C177H114S3 — CID 160751828

About 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene

9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene (PubChem CID 160751828) has the molecular formula C177H114S3 and a molecular weight of 2337.06 g/mol. Its IUPAC name is 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene.

Molecular Properties

• Compound Name: 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene
• PubChem CID: 160751828
• Molecular Formula: C177H114S3
• Molecular Weight: 2337.06 g/mol
• Exact Mass: 2334.81
• IUPAC Name: 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene
• SMILES: CC1(C)c2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)ccc2-c2c1ccc1sc3c4ccccc4ccc3c21.CC1(C)c2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)ccc2-c2cc3c(cc21)sc1ccc2ccccc2c13.CC1(C)c2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)ccc2-c2ccc3c(sc4ccc5ccccc5c43)c21
• InChI: InChI=1S/3C59H38S/c1-59(2)51-30-31-53-57(50-29-26-36-13-4-6-16-43(36)58(50)60-53)56(51)49-28-27-40(34-52(49)59)38-22-23-39-33-41(25-24-37(39)32-38)54-45-17-7-9-19-47(45)55(48-20-10-8-18-46(48)54)44-21-11-14-35-12-3-5-15-42(35)44;1-59(2)52-34-40(26-28-44(52)50-29-30-51-56-43-16-6-4-13-36(43)27-31-53(56)60-58(51)57(50)59)38-22-23-39-33-41(25-24-37(39)32-38)54-46-17-7-9-19-48(46)55(49-20-10-8-18-47(49)54)45-21-11-14-35-12-3-5-15-42(35)45;1-59(2)52-32-40(26-28-44(52)50-33-51-55(34-53(50)59)60-54-29-27-36-13-4-6-16-43(36)58(51)54)38-22-23-39-31-41(25-24-37(39)30-38)56-46-17-7-9-19-48(46)57(49-20-10-8-18-47(49)56)45-21-11-14-35-12-3-5-15-42(35)45/h3*3-34H,1-2H3
• InChIKey: RWXRBCVNHVBAJP-UHFFFAOYSA-N
• XLogP: 51.38
• TPSA: 0.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2337.06
LogP ≤ 5	51.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene?

The IUPAC name of 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene (CID 160751828) is 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene.

What is the SMILES notation for 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene?

The canonical SMILES for 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene is CC1(C)c2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)ccc2-c2c1ccc1sc3c4ccccc4ccc3c21.CC1(C)c2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)ccc2-c2cc3c(cc21)sc1ccc2ccccc2c13.CC1(C)c2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)ccc2-c2ccc3c(sc4ccc5ccccc5c43)c21.

What is the InChIKey of 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene?

The InChIKey is RWXRBCVNHVBAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H38S/c1-59(2)51-30-31-53-57(50-29-26-36-13-4-6-16-43(36)58(50)60-53)56(51)49-28-27-40(34-52(49)59)38-22-23-39-33-41(25-24-37(39)32-38)54-45-17-7-9-19-47(45)55(48-20-10-8-18-46(48)54)44-21-11-14-35-12-3-5-15-42(35)44;1-59(2)52-34-40(26-28-44(52)50-29-30-51-56-43-16-6-4-13-36(43)27-31-53(56)60-58(51)57(50)59)38-22-23-39-33-41(25-24-37(39)32-38)54-46-17-7-9-19-48(46)55(49-20-10-8-18-47(49)54)45-21-11-14-35-12-3-5-15-42(35)45;1-59(2)52-32-40(26-28-44(52)50-33-51-55(34-53(50)59)60-54-29-27-36-13-4-6-16-43(36)58(51)54)38-22-23-39-31-41(25-24-37(39)30-38)56-46-17-7-9-19-48(46)57(49-20-10-8-18-47(49)56)45-21-11-14-35-12-3-5-15-42(35)45/h3*3-34H,1-2H3.

What are the key properties of 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene?

9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene has a molecular weight of 2337.06 g/mol, XLogP of 51.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;15,15-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;16,16-dimethyl-19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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(22),18,20-undecaene is sourced from PubChem (CID 160751828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).