8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline

C56H40N4OS — CID 155033319

IUPAC8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline
SMILESc1ccc(-c2sc(-c3ccccc3)c3c2-c2cc(-c4ccc(C5NC(c6cccc7oc8ccccc8c67)=NC(c6ccccc6)N5)cc4)ccc2NC3c2ccccc2)cc1
InChIInChI=1S/C56H40N4OS/c1-5-16-36(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/h1-34,51,54-55,57-58H,(H,59,60)
InChIKeyLSYKRFSWTBYKMH-UHFFFAOYSA-N
MW817.03 g/mol
LogP14.17
Rot. Bonds7

About 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline

8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline (PubChem CID 155033319) has the molecular formula C56H40N4OS and a molecular weight of 817.03 g/mol. Its IUPAC name is 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline.

Molecular Properties

Compound Name8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline
PubChem CID155033319
Molecular FormulaC56H40N4OS
Molecular Weight817.03 g/mol
Exact Mass816.29
IUPAC Name8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline
SMILESc1ccc(-c2sc(-c3ccccc3)c3c2-c2cc(-c4ccc(C5NC(c6cccc7oc8ccccc8c67)=NC(c6ccccc6)N5)cc4)ccc2NC3c2ccccc2)cc1
InChIInChI=1S/C56H40N4OS/c1-5-16-36(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/h1-34,51,54-55,57-58H,(H,59,60)
InChIKeyLSYKRFSWTBYKMH-UHFFFAOYSA-N
XLogP14.17
TPSA61.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.03
LogP ≤ 514.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801692
6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163856482
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029334
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine
CID 166975821
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541783
2-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099126

Frequently Asked Questions

What is the IUPAC name of 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline?
The IUPAC name of 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline (CID 155033319) is 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline.
What is the SMILES notation for 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline?
The canonical SMILES for 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline is c1ccc(-c2sc(-c3ccccc3)c3c2-c2cc(-c4ccc(C5NC(c6cccc7oc8ccccc8c67)=NC(c6ccccc6)N5)cc4)ccc2NC3c2ccccc2)cc1.
What is the InChIKey of 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline?
The InChIKey is LSYKRFSWTBYKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4OS/c1-5-16-36(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/h1-34,51,54-55,57-58H,(H,59,60).
What are the key properties of 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline?
8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline has a molecular weight of 817.03 g/mol, XLogP of 14.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline is sourced from PubChem (CID 155033319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).