4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine

C58H39N — CID 165152143

IUPAC4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc5ccccc5c5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C58H39N/c1-5-19-40(20-6-1)42-24-17-26-45(35-42)54-38-47(39-55(59-54)46-27-18-25-43(36-46)41-21-7-2-8-22-41)52-37-44-23-13-14-32-50(44)57-56(52)51-33-15-16-34-53(51)58(57,48-28-9-3-10-29-48)49-30-11-4-12-31-49/h1-39H
InChIKeyIYPWKDDRIGTUIE-UHFFFAOYSA-N
MW749.96 g/mol
LogP14.93
Rot. Bonds7

About 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine

4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine (PubChem CID 165152143) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine.

Molecular Properties

Compound Name4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
PubChem CID165152143
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC Name4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc5ccccc5c5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C58H39N/c1-5-19-40(20-6-1)42-24-17-26-45(35-42)54-38-47(39-55(59-54)46-27-18-25-43(36-46)41-21-7-2-8-22-41)52-37-44-23-13-14-32-50(44)57-56(52)51-33-15-16-34-53(51)58(57,48-28-9-3-10-29-48)49-30-11-4-12-31-49/h1-39H
InChIKeyIYPWKDDRIGTUIE-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-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152062
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
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-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
CID 165152262
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
CID 165152303
2-(11,11-diphenylbenzo[a]fluoren-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 165152070
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-(3,5-diphenylphenyl)-6-phenylpyridine
CID 165152041
6-(7-naphthalen-2-ylpyren-2-yl)-11,11-diphenylbenzo[a]fluorene
CID 158356048

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine?
The IUPAC name of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine (CID 165152143) is 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine.
What is the SMILES notation for 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine?
The canonical SMILES for 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine is c1ccc(-c2cccc(-c3cc(-c4cc5ccccc5c5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine?
The InChIKey is IYPWKDDRIGTUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-5-19-40(20-6-1)42-24-17-26-45(35-42)54-38-47(39-55(59-54)46-27-18-25-43(36-46)41-21-7-2-8-22-41)52-37-44-23-13-14-32-50(44)57-56(52)51-33-15-16-34-53(51)58(57,48-28-9-3-10-29-48)49-30-11-4-12-31-49/h1-39H.
What are the key properties of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine?
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine 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-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine is sourced from PubChem (CID 165152143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).