4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine

C58H39N — CID 165151992

IUPAC4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H39N/c1-5-18-42(19-6-1)54-38-47(39-55(59-54)43-20-7-2-8-21-43)45-24-17-23-44(36-45)40-32-34-41(35-33-40)52-37-46-22-13-14-29-50(46)57-56(52)51-30-15-16-31-53(51)58(57,48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-39H
InChIKeyKJYODUYQPOHELW-UHFFFAOYSA-N
MW749.96 g/mol
LogP14.93
Rot. Bonds7

About 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine

4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine (PubChem CID 165151992) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
PubChem CID165151992
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC Name4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H39N/c1-5-18-42(19-6-1)54-38-47(39-55(59-54)43-20-7-2-8-21-43)45-24-17-23-44(36-45)40-32-34-41(35-33-40)52-37-46-22-13-14-29-50(46)57-56(52)51-30-15-16-31-53(51)58(57,48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-39H
InChIKeyKJYODUYQPOHELW-UHFFFAOYSA-N
XLogP14.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
CID 165152143
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 165152292
4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine
CID 165152038
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152062
2-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
CID 165152262
2-(3,5-diphenylphenyl)-4-phenyl-6-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)-1,3,5-triazine
CID 165152132
6-(7-naphthalen-2-ylpyren-2-yl)-11,11-diphenylbenzo[a]fluorene
CID 158356048
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-(3,5-diphenylphenyl)-6-phenylpyridine
CID 165152041
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
CID 165152303
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine (CID 165151992) is 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine?
The InChIKey is KJYODUYQPOHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-5-18-42(19-6-1)54-38-47(39-55(59-54)43-20-7-2-8-21-43)45-24-17-23-44(36-45)40-32-34-41(35-33-40)52-37-46-22-13-14-29-50(46)57-56(52)51-30-15-16-31-53(51)58(57,48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-39H.
What are the key properties of 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine?
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine has a molecular weight of 749.96 g/mol, XLogP of 14.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 165151992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).