2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine

C54H35N — CID 134272055

IUPAC2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H35N/c1-3-14-38(15-4-1)52-34-43(35-53(55-52)39-16-5-2-6-17-39)41-19-13-18-40(32-41)36-26-28-37(29-27-36)42-30-31-51-47(33-42)46-22-9-12-25-50(46)54(51)48-23-10-7-20-44(48)45-21-8-11-24-49(45)54/h1-35H
InChIKeyCCUKMXASYUGYAF-UHFFFAOYSA-N
MW697.88 g/mol
LogP13.76
Rot. Bonds5

About 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine

2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine (PubChem CID 134272055) has the molecular formula C54H35N and a molecular weight of 697.88 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
PubChem CID134272055
Molecular FormulaC54H35N
Molecular Weight697.88 g/mol
Exact Mass697.28
IUPAC Name2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H35N/c1-3-14-38(15-4-1)52-34-43(35-53(55-52)39-16-5-2-6-17-39)41-19-13-18-40(32-41)36-26-28-37(29-27-36)42-30-31-51-47(33-42)46-22-9-12-25-50(46)54(51)48-23-10-7-20-44(48)45-21-8-11-24-49(45)54/h1-35H
InChIKeyCCUKMXASYUGYAF-UHFFFAOYSA-N
XLogP13.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine
CID 153357708
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153288013
4-(3,5-diphenylphenyl)-2-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153287870
4-(3,5-diphenylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153287775
4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288092

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine?
The IUPAC name of 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine (CID 134272055) is 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine?
The InChIKey is CCUKMXASYUGYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N/c1-3-14-38(15-4-1)52-34-43(35-53(55-52)39-16-5-2-6-17-39)41-19-13-18-40(32-41)36-26-28-37(29-27-36)42-30-31-51-47(33-42)46-22-9-12-25-50(46)54(51)48-23-10-7-20-44(48)45-21-8-11-24-49(45)54/h1-35H.
What are the key properties of 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine?
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine has a molecular weight of 697.88 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 134272055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).