16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C41H24O4 — CID 142487643

About 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 142487643) has the molecular formula C41H24O4 and a molecular weight of 580.64 g/mol. Its IUPAC name is 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
• PubChem CID: 142487643
• Molecular Formula: C41H24O4
• Molecular Weight: 580.64 g/mol
• Exact Mass: 580.17
• IUPAC Name: 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
• SMILES: C=Cc1c(C)oc2cc3oc4ccc(-c5ccc(-c6ccc7oc8c(ccc9oc%10ccccc%10c98)c7c6)cc5)cc4c3cc12
• InChI: InChI=1S/C41H24O4/c1-3-27-22(2)42-38-21-39-33(20-32(27)38)31-19-26(12-15-35(31)44-39)24-10-8-23(9-11-24)25-13-16-36-30(18-25)28-14-17-37-40(41(28)45-36)29-6-4-5-7-34(29)43-37/h3-21H,1H2,2H3
• InChIKey: RVQORUBNGHRONW-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.64
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The IUPAC name of 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 142487643) is 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

What is the SMILES notation for 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The canonical SMILES for 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is C=Cc1c(C)oc2cc3oc4ccc(-c5ccc(-c6ccc7oc8c(ccc9oc%10ccccc%10c98)c7c6)cc5)cc4c3cc12.

What is the InChIKey of 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The InChIKey is RVQORUBNGHRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24O4/c1-3-27-22(2)42-38-21-39-33(20-32(27)38)31-19-26(12-15-35(31)44-39)24-10-8-23(9-11-24)25-13-16-36-30(18-25)28-14-17-37-40(41(28)45-36)29-6-4-5-7-34(29)43-37/h3-21H,1H2,2H3.

What are the key properties of 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 580.64 g/mol, XLogP of 12.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[4-(3-ethenyl-2-methyl-[1]benzofuro[6,5-b][1]benzofuran-6-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 142487643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).