4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine

C63H43N — CID 153293199

IUPAC4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2C2(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cccc32)c2ccccc21
InChIInChI=1S/C63H43N/c1-62(2)54-27-13-15-29-56(54)63(57-30-16-14-28-55(57)62)53-35-33-43(42-32-34-50-48-24-10-9-22-46(48)47-23-11-12-25-49(47)51(50)36-42)37-52(53)61-45(26-17-31-58(61)63)44-38-59(40-18-5-3-6-19-40)64-60(39-44)41-20-7-4-8-21-41/h3-39H,1-2H3
InChIKeyUQLBIONJVFAYBQ-UHFFFAOYSA-N
MW814.04 g/mol
LogP16.21
Rot. Bonds4

About 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine

4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine (PubChem CID 153293199) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine
PubChem CID153293199
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC Name4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2C2(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cccc32)c2ccccc21
InChIInChI=1S/C63H43N/c1-62(2)54-27-13-15-29-56(54)63(57-30-16-14-28-55(57)62)53-35-33-43(42-32-34-50-48-24-10-9-22-46(48)47-23-11-12-25-49(47)51(50)36-42)37-52(53)61-45(26-17-31-58(61)63)44-38-59(40-18-5-3-6-19-40)64-60(39-44)41-20-7-4-8-21-41/h3-39H,1-2H3
InChIKeyUQLBIONJVFAYBQ-UHFFFAOYSA-N
XLogP16.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine
CID 142480534
2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 142480512
2-[9,9-dimethyl-6'-[3-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyrimidine
CID 142480360
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-triphenylen-2-ylpyrimidine
CID 146495333
4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2,6-diphenylpyridine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158530956
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 153302478
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
CID 146661203
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706
4-cyclohepta-1,4,6-trien-1-yl-2-(9,9-dimethyl-6'-phenanthren-3-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenylpyridine
CID 155475816
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158046858
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine?
The IUPAC name of 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine (CID 153293199) is 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine.
What is the SMILES notation for 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine?
The canonical SMILES for 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine is CC1(C)c2ccccc2C2(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cccc32)c2ccccc21.
What is the InChIKey of 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine?
The InChIKey is UQLBIONJVFAYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-62(2)54-27-13-15-29-56(54)63(57-30-16-14-28-55(57)62)53-35-33-43(42-32-34-50-48-24-10-9-22-46(48)47-23-11-12-25-49(47)51(50)36-42)37-52(53)61-45(26-17-31-58(61)63)44-38-59(40-18-5-3-6-19-40)64-60(39-44)41-20-7-4-8-21-41/h3-39H,1-2H3.
What are the key properties of 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine?
4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine has a molecular weight of 814.04 g/mol, XLogP of 16.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine is sourced from PubChem (CID 153293199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).