6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine

C47H35N3O — CID 142313973

IUPAC6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine
SMILESC=C/C(=C\C=C/C)c1nc2c(nc1-c1ccccc1)oc1c(-c3ccc(-n4c(C=C)c(C=C)c5cc(-c6ccccc6)ccc54)cc3)cccc12
InChIInChI=1S/C47H35N3O/c1-5-9-17-31(6-2)43-44(34-20-14-11-15-21-34)49-47-45(48-43)39-23-16-22-38(46(39)51-47)33-24-27-36(28-25-33)50-41(8-4)37(7-3)40-30-35(26-29-42(40)50)32-18-12-10-13-19-32/h5-30H,2-4H2,1H3/b9-5-,31-17+
InChIKeyHZAWEPVYPSDUEO-TVQYZZENSA-N
MW657.82 g/mol
LogP12.75
Rot. Bonds9

About 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine

6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 142313973) has the molecular formula C47H35N3O and a molecular weight of 657.82 g/mol. Its IUPAC name is 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine
PubChem CID142313973
Molecular FormulaC47H35N3O
Molecular Weight657.82 g/mol
Exact Mass657.28
IUPAC Name6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine
SMILESC=C/C(=C\C=C/C)c1nc2c(nc1-c1ccccc1)oc1c(-c3ccc(-n4c(C=C)c(C=C)c5cc(-c6ccccc6)ccc54)cc3)cccc12
InChIInChI=1S/C47H35N3O/c1-5-9-17-31(6-2)43-44(34-20-14-11-15-21-34)49-47-45(48-43)39-23-16-22-38(46(39)51-47)33-24-27-36(28-25-33)50-41(8-4)37(7-3)40-30-35(26-29-42(40)50)32-18-12-10-13-19-32/h5-30H,2-4H2,1H3/b9-5-,31-17+
InChIKeyHZAWEPVYPSDUEO-TVQYZZENSA-N
XLogP12.75
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine 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

3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
ethane;3-[2-ethenyl-1-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-phenylcarbazole
CID 177063270
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-4-(4-phenylhexa-1,3,5-trienyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 76816270
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828
2,4-diphenyl-6-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 146606209
3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole
CID 163498747
2-[9-(4-hexa-2,4-dien-2-ylphenyl)carbazol-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 123736087
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole
CID 145109868
8-[8-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]pyrido[4,3-b]indol-5-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 142313938
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine (CID 142313973) is 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine is C=C/C(=C\C=C/C)c1nc2c(nc1-c1ccccc1)oc1c(-c3ccc(-n4c(C=C)c(C=C)c5cc(-c6ccccc6)ccc54)cc3)cccc12.
What is the InChIKey of 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is HZAWEPVYPSDUEO-TVQYZZENSA-N. The full InChI is InChI=1S/C47H35N3O/c1-5-9-17-31(6-2)43-44(34-20-14-11-15-21-34)49-47-45(48-43)39-23-16-22-38(46(39)51-47)33-24-27-36(28-25-33)50-41(8-4)37(7-3)40-30-35(26-29-42(40)50)32-18-12-10-13-19-32/h5-30H,2-4H2,1H3/b9-5-,31-17+.
What are the key properties of 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine?
6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 657.82 g/mol, XLogP of 12.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2,3-bis(ethenyl)-5-phenylindol-1-yl]phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 142313973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).