7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran

C38H22O2 — CID 170420873

IUPAC7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)Oc1ccc(-c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3cccc-2c13
InChIInChI=1S/C38H22O2/c1-2-10-24-23(9-1)19-20-32-37-29(16-8-18-34(37)40-38(24)32)26-12-4-3-11-25(26)27-21-22-35-36-30(27)14-7-15-31(36)28-13-5-6-17-33(28)39-35/h1-22H
InChIKeyJATNQCLEOYKODZ-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.00
Rot. Bonds2

About 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran

7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 170420873) has the molecular formula C38H22O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran
PubChem CID170420873
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)Oc1ccc(-c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3cccc-2c13
InChIInChI=1S/C38H22O2/c1-2-10-24-23(9-1)19-20-32-37-29(16-8-18-34(37)40-38(24)32)26-12-4-3-11-25(26)27-21-22-35-36-30(27)14-7-15-31(36)28-13-5-6-17-33(28)39-35/h1-22H
InChIKeyJATNQCLEOYKODZ-UHFFFAOYSA-N
XLogP11.00
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran with MolForge

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Related Compounds

7-[4-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 177297924
12-benzo[a]anthracen-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171044531
4-naphtho[1,2-b][1]benzofuran-7-yl-12-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170035913
7-[5-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)thiophen-2-yl]naphtho[1,2-b][1]benzofuran
CID 177298582
12-(7-pyren-1-ylnaphthalen-1-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171044941
12-(8-pyren-1-ylnaphthalen-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171046271
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170658024
14-(12-phenylbenzo[a]anthracen-8-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 171044632
14-benzo[a]anthracen-12-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 171045518
7-[10-[4-(2-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174272834

Frequently Asked Questions

What is the IUPAC name of 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran (CID 170420873) is 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran is c1ccc2c(c1)Oc1ccc(-c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3cccc-2c13.
What is the InChIKey of 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran?
The InChIKey is JATNQCLEOYKODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-2-10-24-23(9-1)19-20-32-37-29(16-8-18-34(37)40-38(24)32)26-12-4-3-11-25(26)27-21-22-35-36-30(27)14-7-15-31(36)28-13-5-6-17-33(28)39-35/h1-22H.
What are the key properties of 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran?
7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran has a molecular weight of 510.59 g/mol, XLogP of 11.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170420873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).