5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane

C58H44N4O — CID 142568428

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane
SMILESC=Cc1c(/C=C\C)oc2c(-c3cccc(-c4cccc(-c5cccc6c7cc8ccccc8cc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c56)c4)c3)cccc12.CC
InChIInChI=1S/C56H38N4O.C2H6/c1-3-17-51-44(4-2)48-31-16-29-46(53(48)61-51)43-27-14-25-39(33-43)38-24-13-26-42(32-38)45-28-15-30-47-49-34-40-22-11-12-23-41(40)35-50(49)60(52(45)47)56-58-54(36-18-7-5-8-19-36)57-55(59-56)37-20-9-6-10-21-37;1-2/h3-35H,2H2,1H3;1-2H3/b17-3-;
InChIKeyXOBSWBDPYZWWPK-UMNZIYLQSA-N
MW813.02 g/mol
LogP15.91
Rot. Bonds8

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane (PubChem CID 142568428) has the molecular formula C58H44N4O and a molecular weight of 813.02 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane
PubChem CID142568428
Molecular FormulaC58H44N4O
Molecular Weight813.02 g/mol
Exact Mass812.35
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane
SMILESC=Cc1c(/C=C\C)oc2c(-c3cccc(-c4cccc(-c5cccc6c7cc8ccccc8cc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c56)c4)c3)cccc12.CC
InChIInChI=1S/C56H38N4O.C2H6/c1-3-17-51-44(4-2)48-31-16-29-46(53(48)61-51)43-27-14-25-39(33-43)38-24-13-26-42(32-38)45-28-15-30-47-49-34-40-22-11-12-23-41(40)35-50(49)60(52(45)47)56-58-54(36-18-7-5-8-19-36)57-55(59-56)37-20-9-6-10-21-37;1-2/h3-35H,2H2,1H3;1-2H3/b17-3-;
InChIKeyXOBSWBDPYZWWPK-UMNZIYLQSA-N
XLogP15.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane 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

4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570080
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[3-(3-phenylphenyl)phenyl]phenyl]-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 175616615
3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 167157398
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
4-(9,9-dimethylfluoren-2-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142572202
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
CID 142570568

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane (CID 142568428) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane is C=Cc1c(/C=C\C)oc2c(-c3cccc(-c4cccc(-c5cccc6c7cc8ccccc8cc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c56)c4)c3)cccc12.CC.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane?
The InChIKey is XOBSWBDPYZWWPK-UMNZIYLQSA-N. The full InChI is InChI=1S/C56H38N4O.C2H6/c1-3-17-51-44(4-2)48-31-16-29-46(53(48)61-51)43-27-14-25-39(33-43)38-24-13-26-42(32-38)45-28-15-30-47-49-34-40-22-11-12-23-41(40)35-50(49)60(52(45)47)56-58-54(36-18-7-5-8-19-36)57-55(59-56)37-20-9-6-10-21-37;1-2/h3-35H,2H2,1H3;1-2H3/b17-3-;.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane has a molecular weight of 813.02 g/mol, XLogP of 15.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane is sourced from PubChem (CID 142568428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).