2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine

C60H44N2 — CID 59195620

IUPAC2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21
InChIInChI=1S/C60H44N2/c1-59(2)52-20-10-8-16-44(52)49-35-39(25-28-53(49)59)57-46-17-5-6-18-47(46)58(42-32-40(55-21-11-13-29-61-55)31-41(33-42)56-22-12-14-30-62-56)48-27-24-37(34-50(48)57)38-23-26-45-43-15-7-9-19-51(43)60(3,4)54(45)36-38/h5-36H,1-4H3
InChIKeyJWNBXLSTYOQNON-UHFFFAOYSA-N
MW793.03 g/mol
LogP15.73
Rot. Bonds5

About 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine

2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 59195620) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID59195620
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC Name2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21
InChIInChI=1S/C60H44N2/c1-59(2)52-20-10-8-16-44(52)49-35-39(25-28-53(49)59)57-46-17-5-6-18-47(46)58(42-32-40(55-21-11-13-29-61-55)31-41(33-42)56-22-12-14-30-62-56)48-27-24-37(34-50(48)57)38-23-26-45-43-15-7-9-19-51(43)60(3,4)54(45)36-38/h5-36H,1-4H3
InChIKeyJWNBXLSTYOQNON-UHFFFAOYSA-N
XLogP15.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
CID 59195756
6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline
CID 59196250
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 59195515
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2'-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59195936
1-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]isoquinoline
CID 59195043
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine (CID 59195620) is 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.
What is the InChIKey of 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is JWNBXLSTYOQNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-59(2)52-20-10-8-16-44(52)49-35-39(25-28-53(49)59)57-46-17-5-6-18-47(46)58(42-32-40(55-21-11-13-29-61-55)31-41(33-42)56-22-12-14-30-62-56)48-27-24-37(34-50(48)57)38-23-26-45-43-15-7-9-19-51(43)60(3,4)54(45)36-38/h5-36H,1-4H3.
What are the key properties of 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 793.03 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 59195620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).