2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine

C69H49N — CID 142480512

IUPAC2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccccc2C2(c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)cc3-c3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cccc32)c2ccccc21
InChIInChI=1S/C69H49N/c1-68(2)60-29-15-17-31-62(60)69(63-32-18-16-30-61(63)68)59-39-38-52(49-34-36-50(37-35-49)55-41-53(46-20-7-3-8-21-46)40-54(42-55)47-22-9-4-10-23-47)43-58(59)67-57(28-19-33-64(67)69)66-45-56(48-24-11-5-12-25-48)44-65(70-66)51-26-13-6-14-27-51/h3-45H,1-2H3
InChIKeyYLCRIOSRAVRRRR-UHFFFAOYSA-N
MW892.16 g/mol
LogP17.75
Rot. Bonds7

About 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine

2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine (PubChem CID 142480512) has the molecular formula C69H49N and a molecular weight of 892.16 g/mol. Its IUPAC name is 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
PubChem CID142480512
Molecular FormulaC69H49N
Molecular Weight892.16 g/mol
Exact Mass891.39
IUPAC Name2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccccc2C2(c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)cc3-c3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cccc32)c2ccccc21
InChIInChI=1S/C69H49N/c1-68(2)60-29-15-17-31-62(60)69(63-32-18-16-30-61(63)68)59-39-38-52(49-34-36-50(37-35-49)55-41-53(46-20-7-3-8-21-46)40-54(42-55)47-22-9-4-10-23-47)43-58(59)67-57(28-19-33-64(67)69)66-45-56(48-24-11-5-12-25-48)44-65(70-66)51-26-13-6-14-27-51/h3-45H,1-2H3
InChIKeyYLCRIOSRAVRRRR-UHFFFAOYSA-N
XLogP17.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.16
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
CID 146661203
2-[9,9-dimethyl-6'-[3-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyrimidine
CID 142480360
4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine
CID 142480534
4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine
CID 153293199
CID 146661210
CID 146661210
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine?
The IUPAC name of 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine (CID 142480512) is 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine is CC1(C)c2ccccc2C2(c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)cc3-c3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cccc32)c2ccccc21.
What is the InChIKey of 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine?
The InChIKey is YLCRIOSRAVRRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N/c1-68(2)60-29-15-17-31-62(60)69(63-32-18-16-30-61(63)68)59-39-38-52(49-34-36-50(37-35-49)55-41-53(46-20-7-3-8-21-46)40-54(42-55)47-22-9-4-10-23-47)43-58(59)67-57(28-19-33-64(67)69)66-45-56(48-24-11-5-12-25-48)44-65(70-66)51-26-13-6-14-27-51/h3-45H,1-2H3.
What are the key properties of 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine?
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine has a molecular weight of 892.16 g/mol, XLogP of 17.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine is sourced from PubChem (CID 142480512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).