5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene

C60H30O5 — CID 59147686

About 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene

5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene (PubChem CID 59147686) has the molecular formula C60H30O5 and a molecular weight of 830.90 g/mol. Its IUPAC name is 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene.

Molecular Properties

• Compound Name: 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
• PubChem CID: 59147686
• Molecular Formula: C60H30O5
• Molecular Weight: 830.90 g/mol
• Exact Mass: 830.21
• IUPAC Name: 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
• SMILES: c1ccc2c(-c3ccc4ccc5oc6c(Oc7ccc8ccc9oc%10c(-c%11cccc%12ccccc%11%12)ccc%11ccc%12oc7c8c9-c%12c%11%10)ccc7ccc8oc3c4c5-c8c76)cccc2c1
• InChI: InChI=1S/C60H30O5/c1-3-11-37-31(7-1)9-5-13-39(37)41-23-15-33-17-27-45-53-49(33)57(41)62-43-25-19-35-21-29-47(59(64-45)51(35)55(43)53)61-48-30-22-36-20-26-44-56-52(36)60(48)65-46-28-18-34-16-24-42(58(63-44)50(34)54(46)56)40-14-6-10-32-8-2-4-12-38(32)40/h1-30H
• InChIKey: OQECLZHNEMSGTP-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 61.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.90
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?

The IUPAC name of 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene (CID 59147686) is 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene.

What is the SMILES notation for 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?

The canonical SMILES for 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene is c1ccc2c(-c3ccc4ccc5oc6c(Oc7ccc8ccc9oc%10c(-c%11cccc%12ccccc%11%12)ccc%11ccc%12oc7c8c9-c%12c%11%10)ccc7ccc8oc3c4c5-c8c76)cccc2c1.

What is the InChIKey of 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?

The InChIKey is OQECLZHNEMSGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30O5/c1-3-11-37-31(7-1)9-5-13-39(37)41-23-15-33-17-27-45-53-49(33)57(41)62-43-25-19-35-21-29-47(59(64-45)51(35)55(43)53)61-48-30-22-36-20-26-44-56-52(36)60(48)65-46-28-18-34-16-24-42(58(63-44)50(34)54(46)56)40-14-6-10-32-8-2-4-12-38(32)40/h1-30H.

What are the key properties of 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?

5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene has a molecular weight of 830.90 g/mol, XLogP of 17.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-1-yl-14-[(14-naphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaen-5-yl)oxy]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene is sourced from PubChem (CID 59147686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).