4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine

C52H41NS — CID 145291546

IUPAC4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine
SMILESC=C/C(=C\C=C/C)C1=CC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc(C=C)c(/C=C\C)c43)cc2)=CC(c2ccccc2)N1
InChIInChI=1S/C52H41NS/c1-5-9-18-34(7-3)47-32-39(33-48(53-47)37-19-11-10-12-20-37)36-27-25-35(26-28-36)38-29-30-41-40-21-13-15-23-44(40)52(46(41)31-38)45-24-16-14-22-42(45)51-50(52)43(17-6-2)49(8-4)54-51/h5-33,48,53H,3-4H2,1-2H3/b9-5-,17-6-,34-18+
InChIKeyWLXPMVAQURQPGY-VHWVQBLYSA-N
MW711.97 g/mol
LogP13.73
Rot. Bonds8

About 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine

4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine (PubChem CID 145291546) has the molecular formula C52H41NS and a molecular weight of 711.97 g/mol. Its IUPAC name is 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine
PubChem CID145291546
Molecular FormulaC52H41NS
Molecular Weight711.97 g/mol
Exact Mass711.30
IUPAC Name4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine
SMILESC=C/C(=C\C=C/C)C1=CC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc(C=C)c(/C=C\C)c43)cc2)=CC(c2ccccc2)N1
InChIInChI=1S/C52H41NS/c1-5-9-18-34(7-3)47-32-39(33-48(53-47)37-19-11-10-12-20-37)36-27-25-35(26-28-36)38-29-30-41-40-21-13-15-23-44(40)52(46(41)31-38)45-24-16-14-22-42(45)51-50(52)43(17-6-2)49(8-4)54-51/h5-33,48,53H,3-4H2,1-2H3/b9-5-,17-6-,34-18+
InChIKeyWLXPMVAQURQPGY-VHWVQBLYSA-N
XLogP13.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.97
LogP ≤ 513.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356499
2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane
CID 145358316
N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-ethenyl-N-(4-phenylphenyl)-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine
CID 142481355
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
N-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 145276633
17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 145353164
3-[3-[3-(3'-methyl-2'-prop-1-enylspiro[fluorene-9,1'-indene]-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 123374086
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263317
2',3'-bis(ethenyl)-6'-phenylspiro[fluorene-9,1'-indene]
CID 142340746
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263795

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine?
The IUPAC name of 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine (CID 145291546) is 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine.
What is the SMILES notation for 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine?
The canonical SMILES for 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine is C=C/C(=C\C=C/C)C1=CC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc(C=C)c(/C=C\C)c43)cc2)=CC(c2ccccc2)N1.
What is the InChIKey of 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine?
The InChIKey is WLXPMVAQURQPGY-VHWVQBLYSA-N. The full InChI is InChI=1S/C52H41NS/c1-5-9-18-34(7-3)47-32-39(33-48(53-47)37-19-11-10-12-20-37)36-27-25-35(26-28-36)38-29-30-41-40-21-13-15-23-44(40)52(46(41)31-38)45-24-16-14-22-42(45)51-50(52)43(17-6-2)49(8-4)54-51/h5-33,48,53H,3-4H2,1-2H3/b9-5-,17-6-,34-18+.
What are the key properties of 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine?
4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine has a molecular weight of 711.97 g/mol, XLogP of 13.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2-yl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-phenyl-1,2-dihydropyridine is sourced from PubChem (CID 145291546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).