2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline

C56H40N4S — CID 155033243

IUPAC2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc(-c4ccc(C5Sc6c(-c7ccccc7)nc7ccccc7c6C5c5cccc(-c6ccccc6)c5)cc4)cc3)N2)cc1
InChIInChI=1S/C56H40N4S/c1-5-16-37(17-6-1)45-24-15-25-46(36-45)49-50-47-26-13-14-27-48(47)57-51(40-18-7-2-8-19-40)53(50)61-52(49)41-32-28-38(29-33-41)39-30-34-44(35-31-39)56-59-54(42-20-9-3-10-21-42)58-55(60-56)43-22-11-4-12-23-43/h1-36,49,52,54H,(H,58,59,60)
InChIKeyIVQUFANXJOEJBC-UHFFFAOYSA-N
MW801.03 g/mol
LogP13.71
Rot. Bonds8

About 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline

2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline (PubChem CID 155033243) has the molecular formula C56H40N4S and a molecular weight of 801.03 g/mol. Its IUPAC name is 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline.

Molecular Properties

Compound Name2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline
PubChem CID155033243
Molecular FormulaC56H40N4S
Molecular Weight801.03 g/mol
Exact Mass800.30
IUPAC Name2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc(-c4ccc(C5Sc6c(-c7ccccc7)nc7ccccc7c6C5c5cccc(-c6ccccc6)c5)cc4)cc3)N2)cc1
InChIInChI=1S/C56H40N4S/c1-5-16-37(17-6-1)45-24-15-25-46(36-45)49-50-47-26-13-14-27-48(47)57-51(40-18-7-2-8-19-40)53(50)61-52(49)41-32-28-38(29-33-41)39-30-34-44(35-31-39)56-59-54(42-20-9-3-10-21-42)58-55(60-56)43-22-11-4-12-23-43/h1-36,49,52,54H,(H,58,59,60)
InChIKeyIVQUFANXJOEJBC-UHFFFAOYSA-N
XLogP13.71
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.03
LogP ≤ 513.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline with MolForge

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Related Compounds

2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 174321370
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine
CID 166961343
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 146613062
4-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 138655148
6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-1-methylisoquinoline
CID 130181078
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 155443108

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline?
The IUPAC name of 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline (CID 155033243) is 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline.
What is the SMILES notation for 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline?
The canonical SMILES for 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline is c1ccc(C2=NC(c3ccccc3)N=C(c3ccc(-c4ccc(C5Sc6c(-c7ccccc7)nc7ccccc7c6C5c5cccc(-c6ccccc6)c5)cc4)cc3)N2)cc1.
What is the InChIKey of 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline?
The InChIKey is IVQUFANXJOEJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4S/c1-5-16-37(17-6-1)45-24-15-25-46(36-45)49-50-47-26-13-14-27-48(47)57-51(40-18-7-2-8-19-40)53(50)61-52(49)41-32-28-38(29-33-41)39-30-34-44(35-31-39)56-59-54(42-20-9-3-10-21-42)58-55(60-56)43-22-11-4-12-23-43/h1-36,49,52,54H,(H,58,59,60).
What are the key properties of 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline?
2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline has a molecular weight of 801.03 g/mol, XLogP of 13.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline is sourced from PubChem (CID 155033243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).