2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran

C47H30O — CID 166034498

IUPAC2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3ccc(-c4ccc5oc6ccccc6c5c4)cc23)cc1
InChIInChI=1S/C47H30O/c1-4-12-31(13-5-1)35-23-25-38-40-26-22-32-20-21-33(34-24-27-45-42(29-34)39-18-10-11-19-44(39)48-45)28-41(32)46(40)47(43(38)30-35,36-14-6-2-7-15-36)37-16-8-3-9-17-37/h1-30H
InChIKeyADALIEYVXFVUPQ-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.44
Rot. Bonds4

About 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran

2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran (PubChem CID 166034498) has the molecular formula C47H30O and a molecular weight of 610.76 g/mol. Its IUPAC name is 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran
PubChem CID166034498
Molecular FormulaC47H30O
Molecular Weight610.76 g/mol
Exact Mass610.23
IUPAC Name2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3ccc(-c4ccc5oc6ccccc6c5c4)cc23)cc1
InChIInChI=1S/C47H30O/c1-4-12-31(13-5-1)35-23-25-38-40-26-22-32-20-21-33(34-24-27-45-42(29-34)39-18-10-11-19-44(39)48-45)28-41(32)46(40)47(43(38)30-35,36-14-6-2-7-15-36)37-16-8-3-9-17-37/h1-30H
InChIKeyADALIEYVXFVUPQ-UHFFFAOYSA-N
XLogP12.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran
CID 166034226
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003091
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803928
2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803969
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034505

Frequently Asked Questions

What is the IUPAC name of 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran?
The IUPAC name of 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran (CID 166034498) is 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran.
What is the SMILES notation for 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran?
The canonical SMILES for 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3ccc(-c4ccc5oc6ccccc6c5c4)cc23)cc1.
What is the InChIKey of 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran?
The InChIKey is ADALIEYVXFVUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O/c1-4-12-31(13-5-1)35-23-25-38-40-26-22-32-20-21-33(34-24-27-45-42(29-34)39-18-10-11-19-44(39)48-45)28-41(32)46(40)47(43(38)30-35,36-14-6-2-7-15-36)37-16-8-3-9-17-37/h1-30H.
What are the key properties of 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran?
2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran has a molecular weight of 610.76 g/mol, XLogP of 12.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran is sourced from PubChem (CID 166034498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).