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

C53H32O2 — CID 170035361

IUPAC12-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c(c4)-c4cccc6c(-c7cccc8oc9ccccc9c78)ccc(c46)O5)cccc32)cc1
InChIInChI=1S/C53H32O2/c1-3-14-34(15-4-1)53(35-16-5-2-6-17-35)44-24-9-7-18-41(44)50-36(20-12-25-45(50)53)33-28-30-47-43(32-33)40-22-11-21-38-37(29-31-49(55-47)51(38)40)39-23-13-27-48-52(39)42-19-8-10-26-46(42)54-48/h1-32H
InChIKeyJWTZJZGSSPNQPT-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.21
Rot. Bonds4

About 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

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 (PubChem CID 170035361) has the molecular formula C53H32O2 and a molecular weight of 700.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-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
PubChem CID170035361
Molecular FormulaC53H32O2
Molecular Weight700.84 g/mol
Exact Mass700.24
IUPAC Name12-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c(c4)-c4cccc6c(-c7cccc8oc9ccccc9c78)ccc(c46)O5)cccc32)cc1
InChIInChI=1S/C53H32O2/c1-3-14-34(15-4-1)53(35-16-5-2-6-17-35)44-24-9-7-18-41(44)50-36(20-12-25-45(50)53)33-28-30-47-43(32-33)40-22-11-21-38-37(29-31-49(55-47)51(38)40)39-23-13-27-48-52(39)42-19-8-10-26-46(42)54-48/h1-32H
InChIKeyJWTZJZGSSPNQPT-UHFFFAOYSA-N
XLogP14.21
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
12-[4-(9,9-diphenylfluoren-4-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170030507
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
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-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
4-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170050139
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
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
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
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
CID 155333308
4-(4-dibenzofuran-2-yl-9-phenylfluoren-9-yl)pyridine
CID 135173145
1-[10-(9,9-diphenylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 158916579

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c(c4)-c4cccc6c(-c7cccc8oc9ccccc9c78)ccc(c46)O5)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is JWTZJZGSSPNQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32O2/c1-3-14-34(15-4-1)53(35-16-5-2-6-17-35)44-24-9-7-18-41(44)50-36(20-12-25-45(50)53)33-28-30-47-43(32-33)40-22-11-21-38-37(29-31-49(55-47)51(38)40)39-23-13-27-48-52(39)42-19-8-10-26-46(42)54-48/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 700.84 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170035361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).