10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol

C52H36O2 — CID 130212548

About 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol

10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol (PubChem CID 130212548) has the molecular formula C52H36O2 and a molecular weight of 692.86 g/mol. Its IUPAC name is 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol.

Molecular Properties

• Compound Name: 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol
• PubChem CID: 130212548
• Molecular Formula: C52H36O2
• Molecular Weight: 692.86 g/mol
• Exact Mass: 692.27
• IUPAC Name: 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol
• SMILES: C=Cc1c(C=C)c(-c2cccc(-c3ccc4oc5ccc6ccc(O)c(-c7ccccc7)c6c5c4c3)c2)c2ccccc2c1C1=CC=C2C=CC=CC2C1
• InChI: InChI=1S/C52H36O2/c1-3-40-41(4-2)49(39-22-21-32-13-8-9-16-35(32)29-39)43-20-11-10-19-42(43)48(40)38-18-12-17-36(30-38)37-25-27-46-44(31-37)52-47(54-46)28-24-34-23-26-45(53)50(51(34)52)33-14-6-5-7-15-33/h3-28,30-31,35,53H,1-2,29H2
• InChIKey: SHWAEIOOJCDQRD-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 33.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.86
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol?

The IUPAC name of 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol (CID 130212548) is 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol.

What is the SMILES notation for 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol?

The canonical SMILES for 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol is C=Cc1c(C=C)c(-c2cccc(-c3ccc4oc5ccc6ccc(O)c(-c7ccccc7)c6c5c4c3)c2)c2ccccc2c1C1=CC=C2C=CC=CC2C1.

What is the InChIKey of 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol?

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

What are the key properties of 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol?

10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol has a molecular weight of 692.86 g/mol, XLogP of 14.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol is sourced from PubChem (CID 130212548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).