3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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

C236H156OS3 — CID 161116176

About 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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

3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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 161116176) has the molecular formula C236H156OS3 and a molecular weight of 3104.04 g/mol. Its IUPAC name is 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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: 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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: 161116176
• Molecular Formula: C236H156OS3
• Molecular Weight: 3104.04 g/mol
• Exact Mass: 3101.13
• IUPAC Name: 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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-c2c1ccc1c2sc2cc3cc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c6ccccc56)cc4)ccc3cc21.CC1(C)c2ccccc2-c2c1ccc1sc3c4cc(-c5ccc(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)cc5)ccc4ccc3c21.CC1(C)c2ccccc2-c2ccc3c(oc4cc5ccc(-c6ccc(-c7c8ccccc8c(-c8ccc(-c9cccc%10ccccc9%10)cc8)c8ccccc78)cc6)cc5cc43)c21.CC1(C)c2ccccc2-c2ccc3sc4c5ccc(-c6ccc(-c7c8ccccc8c(-c8cccc(-c9ccc%10ccccc%10c9)c8)c8ccccc78)cc6)cc5ccc4c3c21
• InChI: InChI=1S/C61H40O.C61H40S.2C57H38S/c1-61(2)55-21-10-9-15-47(55)52-32-33-53-54-35-44-34-42(30-31-43(44)36-56(54)62-60(53)59(52)61)37-22-26-40(27-23-37)57-48-16-5-7-18-50(48)58(51-19-8-6-17-49(51)57)41-28-24-39(25-29-41)46-20-11-13-38-12-3-4-14-45(38)46;1-61(2)54-21-10-9-16-47(54)52-32-33-55-58(59(52)61)53-31-29-44-35-42(28-30-46(44)60(53)62-55)38-22-25-39(26-23-38)56-48-17-5-7-19-50(48)57(51-20-8-6-18-49(51)56)45-15-11-14-41(36-45)43-27-24-37-12-3-4-13-40(37)34-43;1-57(2)49-22-11-10-21-46(49)54-50(57)31-32-51-55(54)47-30-29-37-25-28-40(34-48(37)56(47)58-51)36-23-26-38(27-24-36)52-42-17-6-8-19-44(42)53(45-20-9-7-18-43(45)52)41-16-12-15-39(33-41)35-13-4-3-5-14-35;1-57(2)50-19-11-10-18-48(50)55-51(57)31-30-47-49-33-41-29-28-40(32-42(41)34-52(49)58-56(47)55)37-22-26-39(27-23-37)54-45-16-8-6-14-43(45)53(44-15-7-9-17-46(44)54)38-24-20-36(21-25-38)35-12-4-3-5-13-35/h2*3-36H,1-2H3;2*3-34H,1-2H3
• InChIKey: UKIORZYARCKOOV-UHFFFAOYSA-N
• XLogP: 67.79
• TPSA: 13.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3104.04
LogP ≤ 5	67.79
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 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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 161116176) is 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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-c2c1ccc1c2sc2cc3cc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c6ccccc56)cc4)ccc3cc21.CC1(C)c2ccccc2-c2c1ccc1sc3c4cc(-c5ccc(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)cc5)ccc4ccc3c21.CC1(C)c2ccccc2-c2ccc3c(oc4cc5ccc(-c6ccc(-c7c8ccccc8c(-c8ccc(-c9cccc%10ccccc9%10)cc8)c8ccccc78)cc6)cc5cc43)c21.CC1(C)c2ccccc2-c2ccc3sc4c5ccc(-c6ccc(-c7c8ccccc8c(-c8cccc(-c9ccc%10ccccc%10c9)c8)c8ccccc78)cc6)cc5ccc4c3c21.

What is the InChIKey of 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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 UKIORZYARCKOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40O.C61H40S.2C57H38S/c1-61(2)55-21-10-9-15-47(55)52-32-33-53-54-35-44-34-42(30-31-43(44)36-56(54)62-60(53)59(52)61)37-22-26-40(27-23-37)57-48-16-5-7-18-50(48)58(51-19-8-6-17-49(51)57)41-28-24-39(25-29-41)46-20-11-13-38-12-3-4-14-45(38)46;1-61(2)54-21-10-9-16-47(54)52-32-33-55-58(59(52)61)53-31-29-44-35-42(28-30-46(44)60(53)62-55)38-22-25-39(26-23-38)56-48-17-5-7-19-50(48)57(51-20-8-6-18-49(51)56)45-15-11-14-41(36-45)43-27-24-37-12-3-4-13-40(37)34-43;1-57(2)49-22-11-10-21-46(49)54-50(57)31-32-51-55(54)47-30-29-37-25-28-40(34-48(37)56(47)58-51)36-23-26-38(27-24-36)52-42-17-6-8-19-44(42)53(45-20-9-7-18-43(45)52)41-16-12-15-39(33-41)35-13-4-3-5-14-35;1-57(2)50-19-11-10-18-48(50)55-51(57)31-30-47-49-33-41-29-28-40(32-42(41)34-52(49)58-56(47)55)37-22-26-39(27-23-37)54-45-16-8-6-14-43(45)53(44-15-7-9-17-46(44)54)38-24-20-36(21-25-38)35-12-4-3-5-13-35/h2*3-36H,1-2H3;2*3-34H,1-2H3.

What are the key properties of 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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?

3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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 3104.04 g/mol, XLogP of 67.79, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-18-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3,3-dimethyl-19-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;9,9-dimethyl-18-[4-[10-(3-phenylphenyl)anthracen-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(21),17,19,22-undecaene;9,9-dimethyl-19-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-24-thiahexacyclo[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 161116176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).