8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline

C58H42N2S — CID 163545562

IUPAC8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline
SMILESC=C1C(c2ccc(-c3ccccc3)cc2)=CC(C2=CC=CCC2)=NC1c1ccc2c(c1)C1(C3=C(C=CCC3)c3ccccc31)c1cc(-c3cccc4cccnc34)ccc1S2
InChIInChI=1S/C58H42N2S/c1-37-48(40-27-25-39(26-28-40)38-14-4-2-5-15-38)36-53(41-16-6-3-7-17-41)60-56(37)44-30-32-55-52(35-44)58(49-23-10-8-20-46(49)47-21-9-11-24-50(47)58)51-34-43(29-31-54(51)61-55)45-22-12-18-42-19-13-33-59-57(42)45/h2-6,8-10,12-16,18-23,25-36,56H,1,7,11,17,24H2
InChIKeyFESVNQMNNZVVAP-UHFFFAOYSA-N
MW799.06 g/mol
LogP14.90
Rot. Bonds5

About 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline

8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline (PubChem CID 163545562) has the molecular formula C58H42N2S and a molecular weight of 799.06 g/mol. Its IUPAC name is 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline.

Molecular Properties

Compound Name8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline
PubChem CID163545562
Molecular FormulaC58H42N2S
Molecular Weight799.06 g/mol
Exact Mass798.31
IUPAC Name8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline
SMILESC=C1C(c2ccc(-c3ccccc3)cc2)=CC(C2=CC=CCC2)=NC1c1ccc2c(c1)C1(C3=C(C=CCC3)c3ccccc31)c1cc(-c3cccc4cccnc34)ccc1S2
InChIInChI=1S/C58H42N2S/c1-37-48(40-27-25-39(26-28-40)38-14-4-2-5-15-38)36-53(41-16-6-3-7-17-41)60-56(37)44-30-32-55-52(35-44)58(49-23-10-8-20-46(49)47-21-9-11-24-50(47)58)51-34-43(29-31-54(51)61-55)45-22-12-18-42-19-13-33-59-57(42)45/h2-6,8-10,12-16,18-23,25-36,56H,1,7,11,17,24H2
InChIKeyFESVNQMNNZVVAP-UHFFFAOYSA-N
XLogP14.90
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.06
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline with MolForge

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Related Compounds

8-[3'-[(E)-2-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]ethenyl]-2'-ethenylspiro[fluorene-9,4'-thiochromene]-6'-yl]quinoline
CID 146548028
8-[7'-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164793099
2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
CID 174328025
8-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-thioxanthene]-2-yl]quinoline
CID 146547163
8-[3-[9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]thioxanthen-9-yl]phenyl]quinoline
CID 146547967
8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3-yl]quinoline
CID 164793257
8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline;8-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-5-phenylquinoline;8-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline;7-[7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline;8-[7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164957175
2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline
CID 163579355
8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
CID 167177391
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine
CID 142385347
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 166737907

Frequently Asked Questions

What is the IUPAC name of 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline?
The IUPAC name of 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline (CID 163545562) is 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline.
What is the SMILES notation for 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline?
The canonical SMILES for 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline is C=C1C(c2ccc(-c3ccccc3)cc2)=CC(C2=CC=CCC2)=NC1c1ccc2c(c1)C1(C3=C(C=CCC3)c3ccccc31)c1cc(-c3cccc4cccnc34)ccc1S2.
What is the InChIKey of 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline?
The InChIKey is FESVNQMNNZVVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2S/c1-37-48(40-27-25-39(26-28-40)38-14-4-2-5-15-38)36-53(41-16-6-3-7-17-41)60-56(37)44-30-32-55-52(35-44)58(49-23-10-8-20-46(49)47-21-9-11-24-50(47)58)51-34-43(29-31-54(51)61-55)45-22-12-18-42-19-13-33-59-57(42)45/h2-6,8-10,12-16,18-23,25-36,56H,1,7,11,17,24H2.
What are the key properties of 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline?
8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline has a molecular weight of 799.06 g/mol, XLogP of 14.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7'-[6-cyclohexa-1,3-dien-1-yl-3-methylidene-4-(4-phenylphenyl)-2H-pyridin-2-yl]spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-yl]quinoline is sourced from PubChem (CID 163545562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).