2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine

C51H37N — CID 146661203

IUPAC2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)c2ccccc21
InChIInChI=1S/C51H37N/c1-50(2)42-26-11-13-28-44(42)51(45-29-14-12-27-43(45)50)41-25-10-9-23-39(41)49-40(24-16-30-46(49)51)48-33-38(35-19-7-4-8-20-35)32-47(52-48)37-22-15-21-36(31-37)34-17-5-3-6-18-34/h3-33H,1-2H3
InChIKeyPDNRGILFROAWRT-UHFFFAOYSA-N
MW663.86 g/mol
LogP12.75
Rot. Bonds4

About 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine

2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine (PubChem CID 146661203) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
PubChem CID146661203
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC Name2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)c2ccccc21
InChIInChI=1S/C51H37N/c1-50(2)42-26-11-13-28-44(42)51(45-29-14-12-27-43(45)50)41-25-10-9-23-39(41)49-40(24-16-30-46(49)51)48-33-38(35-19-7-4-8-20-35)32-47(52-48)37-22-15-21-36(31-37)34-17-5-3-6-18-34/h3-33H,1-2H3
InChIKeyPDNRGILFROAWRT-UHFFFAOYSA-N
XLogP12.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 146661210
CID 146661210
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
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'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 166995628
2-[9,9-dimethyl-6'-[3-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyrimidine
CID 142480360
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
2-(3,5-diphenylphenyl)-4-phenyl-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]-4-ylpyrimidine
CID 153287651
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
4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine
CID 142480534

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine?
The IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine (CID 146661203) is 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine.
What is the SMILES notation for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine?
The canonical SMILES for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine?
The InChIKey is PDNRGILFROAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-50(2)42-26-11-13-28-44(42)51(45-29-14-12-27-43(45)50)41-25-10-9-23-39(41)49-40(24-16-30-46(49)51)48-33-38(35-19-7-4-8-20-35)32-47(52-48)37-22-15-21-36(31-37)34-17-5-3-6-18-34/h3-33H,1-2H3.
What are the key properties of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine?
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine has a molecular weight of 663.86 g/mol, XLogP of 12.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine is sourced from PubChem (CID 146661203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).