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

C37H26O — CID 170031270

IUPAC4-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)c3)cc21
InChIInChI=1S/C37H26O/c1-37(2)32-14-4-3-12-28(32)29-18-16-27(22-33(29)37)25-11-5-10-24(20-25)26-17-19-34-31(21-26)30-13-6-8-23-9-7-15-35(38-34)36(23)30/h3-22H,1-2H3
InChIKeyYXLHAWSATJEOHJ-UHFFFAOYSA-N
MW486.61 g/mol
LogP10.25
Rot. Bonds2

About 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

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 (PubChem CID 170031270) has the molecular formula C37H26O and a molecular weight of 486.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID170031270
Molecular FormulaC37H26O
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)c3)cc21
InChIInChI=1S/C37H26O/c1-37(2)32-14-4-3-12-28(32)29-18-16-27(22-33(29)37)25-11-5-10-24(20-25)26-17-19-34-31(21-26)30-13-6-8-23-9-7-15-35(38-34)36(23)30/h3-22H,1-2H3
InChIKeyYXLHAWSATJEOHJ-UHFFFAOYSA-N
XLogP10.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
2-(9,9-dimethylfluoren-3-yl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164936930
4-(9,9-dimethylfluoren-3-yl)-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-2-phenylpyrimidine
CID 164936996
6-(9,9-dimethylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170014679
10-(9,9-dimethylfluoren-2-yl)-18-naphthalen-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 139373027
15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 171045941
12-(11,11-dimethylbenzo[b]fluoren-2-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 171045729
2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine
CID 164937269
4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170031170
4-[3-(11,11-dimethylbenzo[b]fluoren-8-yl)phenyl]-12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171044690
4-(11-methyl-11-phenylbenzo[b]fluoren-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 170025175
4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenylphenyl]-12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045033

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)c3)cc21.
What is the InChIKey of 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?
The InChIKey is YXLHAWSATJEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26O/c1-37(2)32-14-4-3-12-28(32)29-18-16-27(22-33(29)37)25-11-5-10-24(20-25)26-17-19-34-31(21-26)30-13-6-8-23-9-7-15-35(38-34)36(23)30/h3-22H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 486.61 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170031270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).