2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine

C61H43N — CID 153302578

IUPAC2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5ccccc45)cc32)c2ccccc21
InChIInChI=1S/C61H43N/c1-60(2)53-25-13-15-27-55(53)61(56-28-16-14-26-54(56)60)52-24-12-11-23-50(52)51-34-33-44(37-57(51)61)47-36-35-46(48-21-9-10-22-49(47)48)41-29-31-43(32-30-41)59-39-45(40-17-5-3-6-18-40)38-58(62-59)42-19-7-4-8-20-42/h3-39H,1-2H3
InChIKeyXHKGAMSSGSPMBS-UHFFFAOYSA-N
MW790.02 g/mol
LogP15.57
Rot. Bonds5

About 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine

2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine (PubChem CID 153302578) has the molecular formula C61H43N and a molecular weight of 790.02 g/mol. Its IUPAC name is 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
PubChem CID153302578
Molecular FormulaC61H43N
Molecular Weight790.02 g/mol
Exact Mass789.34
IUPAC Name2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5ccccc45)cc32)c2ccccc21
InChIInChI=1S/C61H43N/c1-60(2)53-25-13-15-27-55(53)61(56-28-16-14-26-54(56)60)52-24-12-11-23-50(52)51-34-33-44(37-57(51)61)47-36-35-46(48-21-9-10-22-49(47)48)41-29-31-43(32-30-41)59-39-45(40-17-5-3-6-18-40)38-58(62-59)42-19-7-4-8-20-42/h3-39H,1-2H3
InChIKeyXHKGAMSSGSPMBS-UHFFFAOYSA-N
XLogP15.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.02
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 146495349
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 146495529
2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]pyridine
CID 157474525
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
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
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidine
CID 146495309
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 153302478
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 153302646
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine (CID 153302578) is 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5ccccc45)cc32)c2ccccc21.
What is the InChIKey of 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine?
The InChIKey is XHKGAMSSGSPMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N/c1-60(2)53-25-13-15-27-55(53)61(56-28-16-14-26-54(56)60)52-24-12-11-23-50(52)51-34-33-44(37-57(51)61)47-36-35-46(48-21-9-10-22-49(47)48)41-29-31-43(32-30-41)59-39-45(40-17-5-3-6-18-40)38-58(62-59)42-19-7-4-8-20-42/h3-39H,1-2H3.
What are the key properties of 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine?
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine has a molecular weight of 790.02 g/mol, XLogP of 15.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 153302578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).