2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine

C40H25N — CID 155460562

IUPAC2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3ccc4c5c(cccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)nc1
InChIInChI=1S/C40H25N/c1-4-14-34-29(10-1)30-11-2-5-15-35(30)40(34)36-16-6-3-12-31(36)33-24-23-28(32-13-9-17-37(40)39(32)33)26-19-21-27(22-20-26)38-18-7-8-25-41-38/h1-25H
InChIKeyHFPYKRUICOULJJ-UHFFFAOYSA-N
MW519.65 g/mol
LogP9.91
Rot. Bonds2

About 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine

2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine (PubChem CID 155460562) has the molecular formula C40H25N and a molecular weight of 519.65 g/mol. Its IUPAC name is 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine
PubChem CID155460562
Molecular FormulaC40H25N
Molecular Weight519.65 g/mol
Exact Mass519.20
IUPAC Name2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3ccc4c5c(cccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)nc1
InChIInChI=1S/C40H25N/c1-4-14-34-29(10-1)30-11-2-5-15-35(30)40(34)36-16-6-3-12-31(36)33-24-23-28(32-13-9-17-37(40)39(32)33)26-19-21-27(22-20-26)38-18-7-8-25-41-38/h1-25H
InChIKeyHFPYKRUICOULJJ-UHFFFAOYSA-N
XLogP9.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 144605037
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146632572
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
CID 66807387
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
5-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylphenyl)-1,10-phenanthroline
CID 155460544
2-(4-naphthalen-1-ylphenyl)-4-pyridin-2-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261371
2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 129264496
4-(4-methylphenyl)-6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130260899
2-(4-methylphenyl)-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261417
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112

Frequently Asked Questions

What is the IUPAC name of 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine?
The IUPAC name of 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine (CID 155460562) is 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine.
What is the SMILES notation for 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine?
The canonical SMILES for 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine is c1ccc(-c2ccc(-c3ccc4c5c(cccc35)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)nc1.
What is the InChIKey of 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine?
The InChIKey is HFPYKRUICOULJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N/c1-4-14-34-29(10-1)30-11-2-5-15-35(30)40(34)36-16-6-3-12-31(36)33-24-23-28(32-13-9-17-37(40)39(32)33)26-19-21-27(22-20-26)38-18-7-8-25-41-38/h1-25H.
What are the key properties of 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine?
2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine has a molecular weight of 519.65 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine is sourced from PubChem (CID 155460562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).