8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline

C113H69N7OS3 — CID 165033053

IUPAC8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4c(-c6ccccc6)sc(-c6ccccc6)c45)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccccc7)sc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H35N3S2.C56H34N4OS/c1-5-16-38(17-6-1)53-52-51(54(39-18-7-2-8-19-39)62-55(52)40-20-9-3-10-21-40)45-33-32-42(34-48(45)58-53)36-28-30-37(31-29-36)47-35-49(60-57(59-47)41-22-11-4-12-23-41)46-26-15-25-44-43-24-13-14-27-50(43)61-56(44)46;1-5-16-36(17-6-1)51-50-49(52(37-18-7-2-8-19-37)62-53(50)38-20-9-3-10-21-38)44-34-41(32-33-45(44)57-51)35-28-30-40(31-29-35)55-58-54(39-22-11-4-12-23-39)59-56(60-55)43-25-15-27-47-48(43)42-24-13-14-26-46(42)61-47/h1-35H;1-34H
InChIKeyMYPDVZZUBVTZRZ-UHFFFAOYSA-N
MW1637.04 g/mol
LogP31.48
Rot. Bonds14

About 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline

8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline (PubChem CID 165033053) has the molecular formula C113H69N7OS3 and a molecular weight of 1637.04 g/mol. Its IUPAC name is 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline.

Molecular Properties

Compound Name8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline
PubChem CID165033053
Molecular FormulaC113H69N7OS3
Molecular Weight1637.04 g/mol
Exact Mass1635.47
IUPAC Name8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4c(-c6ccccc6)sc(-c6ccccc6)c45)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccccc7)sc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H35N3S2.C56H34N4OS/c1-5-16-38(17-6-1)53-52-51(54(39-18-7-2-8-19-39)62-55(52)40-20-9-3-10-21-40)45-33-32-42(34-48(45)58-53)36-28-30-37(31-29-36)47-35-49(60-57(59-47)41-22-11-4-12-23-41)46-26-15-25-44-43-24-13-14-27-50(43)61-56(44)46;1-5-16-36(17-6-1)51-50-49(52(37-18-7-2-8-19-37)62-53(50)38-20-9-3-10-21-38)44-34-41(32-33-45(44)57-51)35-28-30-40(31-29-35)55-58-54(39-22-11-4-12-23-39)59-56(60-55)43-25-15-27-47-48(43)42-24-13-14-26-46(42)61-47/h1-35H;1-34H
InChIKeyMYPDVZZUBVTZRZ-UHFFFAOYSA-N
XLogP31.48
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001637.04
LogP ≤ 531.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline 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

6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 160798448
2-(4-dibenzofuran-1-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 159145232
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(8-phenyldibenzofuran-1-yl)pyrimidine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyrimidine;2-[3-(4-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 159109291
6-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158524980
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155329006
2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 159621173
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157061104
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065
6-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163602817
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-(7-dibenzofuran-1-yldibenzothiophen-4-yl)-4,6-diphenylpyrimidine
CID 166952761
4-[3-(4-dibenzofuran-2-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171584514

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline?
The IUPAC name of 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline (CID 165033053) is 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline.
What is the SMILES notation for 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline?
The canonical SMILES for 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4c(-c6ccccc6)sc(-c6ccccc6)c45)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccccc7)sc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline?
The InChIKey is MYPDVZZUBVTZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3S2.C56H34N4OS/c1-5-16-38(17-6-1)53-52-51(54(39-18-7-2-8-19-39)62-55(52)40-20-9-3-10-21-40)45-33-32-42(34-48(45)58-53)36-28-30-37(31-29-36)47-35-49(60-57(59-47)41-22-11-4-12-23-41)46-26-15-25-44-43-24-13-14-27-50(43)61-56(44)46;1-5-16-36(17-6-1)51-50-49(52(37-18-7-2-8-19-37)62-53(50)38-20-9-3-10-21-38)44-34-41(32-33-45(44)57-51)35-28-30-40(31-29-35)55-58-54(39-22-11-4-12-23-39)59-56(60-55)43-25-15-27-47-48(43)42-24-13-14-26-46(42)61-47/h1-35H;1-34H.
What are the key properties of 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline?
8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline has a molecular weight of 1637.04 g/mol, XLogP of 31.48, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline;7-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3,4-triphenylthieno[3,4-c]quinoline is sourced from PubChem (CID 165033053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).