2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine

C41H25N5S — CID 168745843

IUPAC2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6ccc7c(n6)sc6ccccc67)c5n4)c3)n2)cc1
InChIInChI=1S/C41H25N5S/c1-3-11-27(12-4-1)38-44-39(28-13-5-2-6-14-28)46-40(45-38)30-17-9-16-29(25-30)34-23-21-26-15-10-19-33(37(26)42-34)35-24-22-32-31-18-7-8-20-36(31)47-41(32)43-35/h1-25H
InChIKeyQCUNMZPNARJEIA-UHFFFAOYSA-N
MW619.75 g/mol
LogP10.52
Rot. Bonds5

About 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine

2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine (PubChem CID 168745843) has the molecular formula C41H25N5S and a molecular weight of 619.75 g/mol. Its IUPAC name is 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine
PubChem CID168745843
Molecular FormulaC41H25N5S
Molecular Weight619.75 g/mol
Exact Mass619.18
IUPAC Name2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6ccc7c(n6)sc6ccccc67)c5n4)c3)n2)cc1
InChIInChI=1S/C41H25N5S/c1-3-11-27(12-4-1)38-44-39(28-13-5-2-6-14-28)46-40(45-38)30-17-9-16-29(25-30)34-23-21-26-15-10-19-33(37(26)42-34)35-24-22-32-31-18-7-8-20-36(31)47-41(32)43-35/h1-25H
InChIKeyQCUNMZPNARJEIA-UHFFFAOYSA-N
XLogP10.52
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.75
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine with MolForge

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Related Compounds

2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 146367503
2-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154954934
2-dibenzothiophen-4-yl-9-[3-(9-dibenzothiophen-4-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050285
2-[3-[6-(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 90050125
2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline
CID 90049990
2-[3-dibenzothiophen-1-yl-5-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 154954908
2-[3-dibenzothiophen-1-yl-5-[4-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 154954936
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792693
2-chrysen-1-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 168795993
2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxalin-2-yl]-[1]benzothiolo[2,3-b]pyridine
CID 168746965
4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine (CID 168745843) is 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6ccc7c(n6)sc6ccccc67)c5n4)c3)n2)cc1.
What is the InChIKey of 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is QCUNMZPNARJEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5S/c1-3-11-27(12-4-1)38-44-39(28-13-5-2-6-14-28)46-40(45-38)30-17-9-16-29(25-30)34-23-21-26-15-10-19-33(37(26)42-34)35-24-22-32-31-18-7-8-20-36(31)47-41(32)43-35/h1-25H.
What are the key properties of 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine?
2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 619.75 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 168745843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).