2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran

C67H44O — CID 156827496

IUPAC2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran
SMILESC(=C(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1cccc2c(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C4(c3ccccc3)c3ccccc3)cccc12)c1ccccc1
InChIInChI=1S/C67H44O/c1-5-17-45(18-6-1)41-59(48-33-31-47(32-34-48)50-37-40-66-62(43-50)58-25-13-14-30-65(58)68-66)57-29-16-27-55-54(26-15-28-56(55)57)51-36-39-64-61(44-51)60-42-49(46-19-7-2-8-20-46)35-38-63(60)67(64,52-21-9-3-10-22-52)53-23-11-4-12-24-53/h1-44H
InChIKeyIJSKEOUQRJOYEI-UHFFFAOYSA-N
MW865.09 g/mol
LogP17.69
Rot. Bonds8

About 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran

2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran (PubChem CID 156827496) has the molecular formula C67H44O and a molecular weight of 865.09 g/mol. Its IUPAC name is 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran
PubChem CID156827496
Molecular FormulaC67H44O
Molecular Weight865.09 g/mol
Exact Mass864.34
IUPAC Name2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran
SMILESC(=C(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1cccc2c(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C4(c3ccccc3)c3ccccc3)cccc12)c1ccccc1
InChIInChI=1S/C67H44O/c1-5-17-45(18-6-1)41-59(48-33-31-47(32-34-48)50-37-40-66-62(43-50)58-25-13-14-30-65(58)68-66)57-29-16-27-55-54(26-15-28-56(55)57)51-36-39-64-61(44-51)60-42-49(46-19-7-2-8-20-46)35-38-63(60)67(64,52-21-9-3-10-22-52)53-23-11-4-12-24-53/h1-44H
InChIKeyIJSKEOUQRJOYEI-UHFFFAOYSA-N
XLogP17.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine
CID 177079133
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
2-[3-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160588637
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602396
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425114
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran?
The IUPAC name of 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran (CID 156827496) is 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran?
The canonical SMILES for 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran is C(=C(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1cccc2c(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C4(c3ccccc3)c3ccccc3)cccc12)c1ccccc1.
What is the InChIKey of 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran?
The InChIKey is IJSKEOUQRJOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44O/c1-5-17-45(18-6-1)41-59(48-33-31-47(32-34-48)50-37-40-66-62(43-50)58-25-13-14-30-65(58)68-66)57-29-16-27-55-54(26-15-28-56(55)57)51-36-39-64-61(44-51)60-42-49(46-19-7-2-8-20-46)35-38-63(60)67(64,52-21-9-3-10-22-52)53-23-11-4-12-24-53/h1-44H.
What are the key properties of 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran?
2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran has a molecular weight of 865.09 g/mol, XLogP of 17.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran is sourced from PubChem (CID 156827496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).