18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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

C236H138O8 — CID 158054118

About 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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

18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 158054118) has the molecular formula C236H138O8 and a molecular weight of 3101.69 g/mol. Its IUPAC name is 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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: 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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: 158054118
• Molecular Formula: C236H138O8
• Molecular Weight: 3101.69 g/mol
• Exact Mass: 3099.04
• IUPAC Name: 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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: c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6oc7c(ccc8c9ccccc9oc87)c6cc5c4)c4ccccc34)c3ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)oc5c7ccc6oc7ccccc7c65)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(ccc7c6oc6ccc8c9ccccc9oc8c67)c5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7c(oc8ccc9oc%10ccccc%10c9c87)c6c5)c5ccccc45)c4ccccc34)c2)cc1
• InChI: InChI=1S/C62H36O2.3C58H34O2/c1-2-13-38-32-40(25-24-37(38)12-1)39-14-11-15-43(33-39)59-49-19-5-7-21-51(49)60(52-22-8-6-20-50(52)59)53-29-28-45(46-16-3-4-17-47(46)53)42-27-26-41-36-58-56(35-44(41)34-42)55-31-30-54-48-18-9-10-23-57(48)63-61(54)62(55)64-58;1-2-13-35(14-3-1)36-15-12-16-39(33-36)54-45-20-6-8-22-47(45)55(48-23-9-7-21-46(48)54)49-30-29-40(42-17-4-5-18-43(42)49)37-25-27-41-38(34-37)26-28-51-56-53(60-57(41)51)32-31-50-44-19-10-11-24-52(44)59-58(50)56;1-2-13-35(14-3-1)37-15-12-16-39(33-37)54-43-19-6-8-21-45(43)55(46-22-9-7-20-44(46)54)47-30-29-40(41-17-4-5-18-42(41)47)38-26-25-36-27-28-49-57-53(60-58(49)50(36)34-38)32-31-52-56(57)48-23-10-11-24-51(48)59-52;1-2-12-35(13-3-1)36-22-24-37(25-23-36)55-44-16-6-8-18-46(44)56(47-19-9-7-17-45(47)55)48-29-28-41(42-14-4-5-15-43(42)48)39-27-26-38-33-51-49-30-31-53-57(50-20-10-11-21-52(50)59-53)58(49)60-54(51)34-40(38)32-39/h1-36H;3*1-34H
• InChIKey: FJVJRPKPQWMFHM-UHFFFAOYSA-N
• XLogP: 68.22
• TPSA: 105.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3101.69
LogP ≤ 5	68.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 158054118) is 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6oc7c(ccc8c9ccccc9oc87)c6cc5c4)c4ccccc34)c3ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)oc5c7ccc6oc7ccccc7c65)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(ccc7c6oc6ccc8c9ccccc9oc8c67)c5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7c(oc8ccc9oc%10ccccc%10c9c87)c6c5)c5ccccc45)c4ccccc34)c2)cc1.

What is the InChIKey of 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 FJVJRPKPQWMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36O2.3C58H34O2/c1-2-13-38-32-40(25-24-37(38)12-1)39-14-11-15-43(33-39)59-49-19-5-7-21-51(49)60(52-22-8-6-20-50(52)59)53-29-28-45(46-16-3-4-17-47(46)53)42-27-26-41-36-58-56(35-44(41)34-42)55-31-30-54-48-18-9-10-23-57(48)63-61(54)62(55)64-58;1-2-13-35(14-3-1)36-15-12-16-39(33-36)54-45-20-6-8-22-47(45)55(48-23-9-7-21-46(48)54)49-30-29-40(42-17-4-5-18-43(42)49)37-25-27-41-38(34-37)26-28-51-56-53(60-57(41)51)32-31-50-44-19-10-11-24-52(44)59-58(50)56;1-2-13-35(14-3-1)37-15-12-16-39(33-37)54-43-19-6-8-21-45(43)55(46-22-9-7-20-44(46)54)47-30-29-40(41-17-4-5-18-42(41)47)38-26-25-36-27-28-49-57-53(60-58(49)50(36)34-38)32-31-52-56(57)48-23-10-11-24-51(48)59-52;1-2-12-35(13-3-1)36-22-24-37(25-23-36)55-44-16-6-8-18-46(44)56(47-19-9-7-17-45(47)55)48-29-28-41(42-14-4-5-15-43(42)48)39-27-26-38-33-51-49-30-31-53-57(50-20-10-11-21-52(50)59-53)58(49)60-54(51)34-40(38)32-39/h1-36H;3*1-34H.

What are the key properties of 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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?

18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 3101.69 g/mol, XLogP of 68.22, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[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;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[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;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[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;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[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 158054118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).