1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran

C53H40O — CID 164529127

IUPAC1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(C(Cc3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C53H40O/c1-53(2)48-21-11-9-18-43(48)44-31-29-40(34-49(44)53)47(45-20-13-23-51-52(45)46-19-10-12-22-50(46)54-51)33-41-32-39(36-16-7-4-8-17-36)28-30-42(41)38-26-24-37(25-27-38)35-14-5-3-6-15-35/h3-32,34,47H,33H2,1-2H3
InChIKeyWJNOVAZLDWGAQB-UHFFFAOYSA-N
MW692.90 g/mol
LogP14.27
Rot. Bonds7

About 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran

1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran (PubChem CID 164529127) has the molecular formula C53H40O and a molecular weight of 692.90 g/mol. Its IUPAC name is 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran.

Molecular Properties

Compound Name1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran
PubChem CID164529127
Molecular FormulaC53H40O
Molecular Weight692.90 g/mol
Exact Mass692.31
IUPAC Name1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(C(Cc3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C53H40O/c1-53(2)48-21-11-9-18-43(48)44-31-29-40(34-49(44)53)47(45-20-13-23-51-52(45)46-19-10-12-22-50(46)54-51)33-41-32-39(36-16-7-4-8-17-36)28-30-42(41)38-26-24-37(25-27-38)35-14-5-3-6-15-35/h3-32,34,47H,33H2,1-2H3
InChIKeyWJNOVAZLDWGAQB-UHFFFAOYSA-N
XLogP14.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.90
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran
CID 145360755
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136756
2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136781
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295228
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran
CID 59136953
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176765100
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876

Frequently Asked Questions

What is the IUPAC name of 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran?
The IUPAC name of 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran (CID 164529127) is 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran.
What is the SMILES notation for 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran?
The canonical SMILES for 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran is CC1(C)c2ccccc2-c2ccc(C(Cc3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran?
The InChIKey is WJNOVAZLDWGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40O/c1-53(2)48-21-11-9-18-43(48)44-31-29-40(34-49(44)53)47(45-20-13-23-51-52(45)46-19-10-12-22-50(46)54-51)33-41-32-39(36-16-7-4-8-17-36)28-30-42(41)38-26-24-37(25-27-38)35-14-5-3-6-15-35/h3-32,34,47H,33H2,1-2H3.
What are the key properties of 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran?
1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran has a molecular weight of 692.90 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran is sourced from PubChem (CID 164529127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).