9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine

C41H25N5S — CID 168747123

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8ccccc8n7)nc6c45)cc3)n2)cc1
InChIInChI=1S/C41H25N5S/c1-3-11-28(12-4-1)39-44-40(29-13-5-2-6-14-29)46-41(45-39)30-20-18-26(19-21-30)31-15-9-17-35-37(31)38-36(47-35)25-24-34(43-38)33-23-22-27-10-7-8-16-32(27)42-33/h1-25H
InChIKeyHJBOEBHQJRYRCG-UHFFFAOYSA-N
MW619.75 g/mol
LogP10.52
Rot. Bonds5

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine (PubChem CID 168747123) has the molecular formula C41H25N5S and a molecular weight of 619.75 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine
PubChem CID168747123
Molecular FormulaC41H25N5S
Molecular Weight619.75 g/mol
Exact Mass619.18
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8ccccc8n7)nc6c45)cc3)n2)cc1
InChIInChI=1S/C41H25N5S/c1-3-11-28(12-4-1)39-44-40(29-13-5-2-6-14-29)46-41(45-39)30-20-18-26(19-21-30)31-15-9-17-35-37(31)38-36(47-35)25-24-34(43-38)33-23-22-27-10-7-8-16-32(27)42-33/h1-25H
InChIKeyHJBOEBHQJRYRCG-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 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]quinoline
CID 163580996
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2-(4-phenylphenyl)-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 171411875
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
2-[4-(8-phenanthren-9-yldibenzothiophen-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946720
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
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148624256
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-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
2-phenyl-9-(9-quinolin-7-yldibenzothiophen-2-yl)-1,10-phenanthroline
CID 153277474
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797737

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine (CID 168747123) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8ccccc8n7)nc6c45)cc3)n2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is HJBOEBHQJRYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5S/c1-3-11-28(12-4-1)39-44-40(29-13-5-2-6-14-29)46-41(45-39)30-20-18-26(19-21-30)31-15-9-17-35-37(31)38-36(47-35)25-24-34(43-38)33-23-22-27-10-7-8-16-32(27)42-33/h1-25H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-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 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-quinolin-2-yl-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 168747123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).