5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene

C52H36O2 — CID 130212543

About 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene

5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene (PubChem CID 130212543) has the molecular formula C52H36O2 and a molecular weight of 692.86 g/mol. Its IUPAC name is 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
• PubChem CID: 130212543
• Molecular Formula: C52H36O2
• Molecular Weight: 692.86 g/mol
• Exact Mass: 692.27
• IUPAC Name: 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
• SMILES: C=Cc1c(C=C)c(-c2cccc(-c3ccc4oc5ccc6cc7c(cc6c5c4c3)oc3ccccc37)c2)c2c(c1C1=CC=C3C=CC=CC3C1)=CCCC=2
• InChI: InChI=1S/C52H36O2/c1-3-38-39(4-2)51(37-21-20-31-12-5-6-13-32(31)26-37)42-18-8-7-17-41(42)50(38)36-15-11-14-33(27-36)34-22-24-47-45(28-34)52-43-30-49-44(29-35(43)23-25-48(52)53-47)40-16-9-10-19-46(40)54-49/h3-6,9-25,27-30,32H,1-2,7-8,26H2
• InChIKey: LPSBDICBAVMNPR-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.86
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene (CID 130212543) is 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene is C=Cc1c(C=C)c(-c2cccc(-c3ccc4oc5ccc6cc7c(cc6c5c4c3)oc3ccccc37)c2)c2c(c1C1=CC=C3C=CC=CC3C1)=CCCC=2.

What is the InChIKey of 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?

The InChIKey is LPSBDICBAVMNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O2/c1-3-38-39(4-2)51(37-21-20-31-12-5-6-13-32(31)26-37)42-18-8-7-17-41(42)50(38)36-15-11-14-33(27-36)34-22-24-47-45(28-34)52-43-30-49-44(29-35(43)23-25-48(52)53-47)40-16-9-10-19-46(40)54-49/h3-6,9-25,27-30,32H,1-2,7-8,26H2.

What are the key properties of 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?

5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene has a molecular weight of 692.86 g/mol, XLogP of 13.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)-6,7-dihydronaphthalen-1-yl]phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 130212543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).