11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene

C156H90O6 — CID 158174441

About 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene

11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene (PubChem CID 158174441) has the molecular formula C156H90O6 and a molecular weight of 2060.43 g/mol. Its IUPAC name is 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
• PubChem CID: 158174441
• Molecular Formula: C156H90O6
• Molecular Weight: 2060.43 g/mol
• Exact Mass: 2058.67
• IUPAC Name: 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
• SMILES: c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5c6oc7cc8ccccc8cc7c6cc6oc7ccccc7c56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6c7ccccc7oc6c6c5oc5ccc7ccccc7c56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6oc7cc8ccccc8cc7c6c6oc7ccccc7c56)c5ccccc45)ccc3c2)cc1
• InChI: InChI=1S/3C52H30O2/c1-2-12-31(13-3-1)33-22-23-35-29-36(25-24-34(35)28-33)47-39-17-6-8-19-41(39)48(42-20-9-7-18-40(42)47)44-30-43-38-16-10-11-21-45(38)53-51(43)50-49-37-15-5-4-14-32(37)26-27-46(49)54-52(44)50;1-2-12-31(13-3-1)34-22-23-36-27-37(25-24-35(36)26-34)48-38-16-6-8-18-40(38)49(41-19-9-7-17-39(41)48)44-30-47-51(52-50(44)42-20-10-11-21-45(42)54-52)43-28-32-14-4-5-15-33(32)29-46(43)53-47;1-2-12-31(13-3-1)34-22-23-36-27-37(25-24-35(36)26-34)48-38-16-6-8-18-40(38)49(41-19-9-7-17-39(41)48)51-50-42-20-10-11-21-45(42)53-47(50)30-44-43-28-32-14-4-5-15-33(32)29-46(43)54-52(44)51/h3*1-30H
• InChIKey: FXVKZDIAXZGVFB-UHFFFAOYSA-N
• XLogP: 45.30
• TPSA: 78.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2060.43
LogP ≤ 5	45.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?

The IUPAC name of 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene (CID 158174441) is 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene.

What is the SMILES notation for 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?

The canonical SMILES for 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene is c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5c6oc7cc8ccccc8cc7c6cc6oc7ccccc7c56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6c7ccccc7oc6c6c5oc5ccc7ccccc7c56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6oc7cc8ccccc8cc7c6c6oc7ccccc7c56)c5ccccc45)ccc3c2)cc1.

What is the InChIKey of 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?

The InChIKey is FXVKZDIAXZGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H30O2/c1-2-12-31(13-3-1)33-22-23-35-29-36(25-24-34(35)28-33)47-39-17-6-8-19-41(39)48(42-20-9-7-18-40(42)47)44-30-43-38-16-10-11-21-45(38)53-51(43)50-49-37-15-5-4-14-32(37)26-27-46(49)54-52(44)50;1-2-12-31(13-3-1)34-22-23-36-27-37(25-24-35(36)26-34)48-38-16-6-8-18-40(38)49(41-19-9-7-17-39(41)48)44-30-47-51(52-50(44)42-20-10-11-21-45(42)54-52)43-28-32-14-4-5-15-33(32)29-46(43)53-47;1-2-12-31(13-3-1)34-22-23-36-27-37(25-24-35(36)26-34)48-38-16-6-8-18-40(38)49(41-19-9-7-17-39(41)48)51-50-42-20-10-11-21-45(42)53-47(50)30-44-43-28-32-14-4-5-15-33(32)29-46(43)54-52(44)51/h3*1-30H.

What are the key properties of 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?

11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene has a molecular weight of 2060.43 g/mol, XLogP of 45.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene is sourced from PubChem (CID 158174441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).