12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene

C43H28O2 — CID 170034919

IUPAC12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6cccc7c6oc6ccccc67)ccc(c35)O4)cc21
InChIInChI=1S/C43H28O2/c1-43(2)36-15-5-3-9-28(36)29-19-17-26(24-37(29)43)25-18-21-39-35(23-25)32-12-7-11-31-27(20-22-40(44-39)41(31)32)33-13-8-14-34-30-10-4-6-16-38(30)45-42(33)34/h3-24H,1-2H3
InChIKeyRBDWKYOLTGCHFU-UHFFFAOYSA-N
MW576.70 g/mol
LogP12.15
Rot. Bonds2

About 12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-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-4-yl-4-(9,9-dimethylfluoren-2-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 170034919) has the molecular formula C43H28O2 and a molecular weight of 576.70 g/mol. Its IUPAC name is 12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-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-4-yl-4-(9,9-dimethylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
PubChem CID170034919
Molecular FormulaC43H28O2
Molecular Weight576.70 g/mol
Exact Mass576.21
IUPAC Name12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6cccc7c6oc6ccccc67)ccc(c35)O4)cc21
InChIInChI=1S/C43H28O2/c1-43(2)36-15-5-3-9-28(36)29-19-17-26(24-37(29)43)25-18-21-39-35(23-25)32-12-7-11-31-27(20-22-40(44-39)41(31)32)33-13-8-14-34-30-10-4-6-16-38(30)45-42(33)34/h3-24H,1-2H3
InChIKeyRBDWKYOLTGCHFU-UHFFFAOYSA-N
XLogP12.15
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-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-(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-[4-(9,9-dimethylfluoren-2-yl)naphthalen-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 171046100
N-[3-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139554045
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 142340691
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170031270
12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045417
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
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

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-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-4-yl-4-(9,9-dimethylfluoren-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 170034919) is 12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-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-4-yl-4-(9,9-dimethylfluoren-2-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-4-yl-4-(9,9-dimethylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6cccc7c6oc6ccccc67)ccc(c35)O4)cc21.
What is the InChIKey of 12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-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 RBDWKYOLTGCHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28O2/c1-43(2)36-15-5-3-9-28(36)29-19-17-26(24-37(29)43)25-18-21-39-35(23-25)32-12-7-11-31-27(20-22-40(44-39)41(31)32)33-13-8-14-34-30-10-4-6-16-38(30)45-42(33)34/h3-24H,1-2H3.
What are the key properties of 12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-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-4-yl-4-(9,9-dimethylfluoren-2-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 576.70 g/mol, XLogP of 12.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-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 170034919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).