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

C61H34O2 — CID 170035913

IUPAC4-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
SMILESc1ccc2c(c1)-c1c(-c3ccc4c5c(cccc35)-c3cc(-c5cccc6oc7c8ccccc8ccc7c56)ccc3O4)cccc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C61H34O2/c1-2-15-39-35(12-1)28-30-47-58-38(18-11-27-54(58)63-60(39)47)37-29-32-53-48(34-37)45-21-9-20-43-40(31-33-55(62-53)59(43)45)42-22-10-26-52-57(42)46-17-4-6-24-50(46)61(52)49-23-5-3-16-41(49)44-19-7-13-36-14-8-25-51(61)56(36)44/h1-34H
InChIKeyLQWPUSGWPDFFSA-UHFFFAOYSA-N
MW798.94 g/mol
LogP16.50
Rot. Bonds2

About 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

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 (PubChem CID 170035913) has the molecular formula C61H34O2 and a molecular weight of 798.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID170035913
Molecular FormulaC61H34O2
Molecular Weight798.94 g/mol
Exact Mass798.26
IUPAC Name4-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
SMILESc1ccc2c(c1)-c1c(-c3ccc4c5c(cccc35)-c3cc(-c5cccc6oc7c8ccccc8ccc7c56)ccc3O4)cccc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C61H34O2/c1-2-15-39-35(12-1)28-30-47-58-38(18-11-27-54(58)63-60(39)47)37-29-32-53-48(34-37)45-21-9-20-43-40(31-33-55(62-53)59(43)45)42-22-10-26-52-57(42)46-17-4-6-24-50(46)61(52)49-23-5-3-16-41(49)44-19-7-13-36-14-8-25-51(61)56(36)44/h1-34H
InChIKeyLQWPUSGWPDFFSA-UHFFFAOYSA-N
XLogP16.50
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.94
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

4-dibenzofuran-2-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 170035915
12-naphtho[2,3-b][1]benzofuran-1-yl-4-spiro[benzo[c]fluorene-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 170033790
12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170035516
16-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl-12-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 177126818
12-dibenzofuran-1-yl-4-(9,9-diphenylfluoren-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 170035361
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
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
12-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126905
4-dibenzofuran-2-yl-12-(9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170034325
4-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015453
12-dibenzofuran-1-yl-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170036540
11-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylspiro[benzo[a]xanthene-12,9'-fluorene]
CID 177127643

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1c(-c3ccc4c5c(cccc35)-c3cc(-c5cccc6oc7c8ccccc8ccc7c56)ccc3O4)cccc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of 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?
The InChIKey is LQWPUSGWPDFFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H34O2/c1-2-15-39-35(12-1)28-30-47-58-38(18-11-27-54(58)63-60(39)47)37-29-32-53-48(34-37)45-21-9-20-43-40(31-33-55(62-53)59(43)45)42-22-10-26-52-57(42)46-17-4-6-24-50(46)61(52)49-23-5-3-16-41(49)44-19-7-13-36-14-8-25-51(61)56(36)44/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 798.94 g/mol, XLogP of 16.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170035913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).