10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline

C48H30N4S2 — CID 155019035

IUPAC10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3c2sc2ccc(-c4ccc(C5=NC(c6ccccc6)NC(c6cccc7c6sc6ccccc67)=N5)cc4)cc23)cc1
InChIInChI=1S/C48H30N4S2/c1-3-12-30(13-4-1)43-45-42(36-17-7-9-20-39(36)49-43)38-28-33(26-27-41(38)54-45)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)37-19-11-18-35-34-16-8-10-21-40(34)53-44(35)37/h1-28,46H,(H,50,51,52)
InChIKeyINOYLBWRJOCIFN-UHFFFAOYSA-N
MW726.93 g/mol
LogP12.80
Rot. Bonds5

About 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline

10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline (PubChem CID 155019035) has the molecular formula C48H30N4S2 and a molecular weight of 726.93 g/mol. Its IUPAC name is 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
PubChem CID155019035
Molecular FormulaC48H30N4S2
Molecular Weight726.93 g/mol
Exact Mass726.19
IUPAC Name10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3c2sc2ccc(-c4ccc(C5=NC(c6ccccc6)NC(c6cccc7c6sc6ccccc67)=N5)cc4)cc23)cc1
InChIInChI=1S/C48H30N4S2/c1-3-12-30(13-4-1)43-45-42(36-17-7-9-20-39(36)49-43)38-28-33(26-27-41(38)54-45)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)37-19-11-18-35-34-16-8-10-21-40(34)53-44(35)37/h1-28,46H,(H,50,51,52)
InChIKeyINOYLBWRJOCIFN-UHFFFAOYSA-N
XLogP12.80
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.93
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline with MolForge

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 137285252
1-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-8-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridine
CID 155327328
12-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145156440
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[2,3-c]quinoline
CID 146489531
9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 163472498
4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574841
6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine
CID 147640194
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 145421918
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864
3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
CID 163899540

Frequently Asked Questions

What is the IUPAC name of 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline (CID 155019035) is 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2nc3ccccc3c3c2sc2ccc(-c4ccc(C5=NC(c6ccccc6)NC(c6cccc7c6sc6ccccc67)=N5)cc4)cc23)cc1.
What is the InChIKey of 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is INOYLBWRJOCIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4S2/c1-3-12-30(13-4-1)43-45-42(36-17-7-9-20-39(36)49-43)38-28-33(26-27-41(38)54-45)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)37-19-11-18-35-34-16-8-10-21-40(34)53-44(35)37/h1-28,46H,(H,50,51,52).
What are the key properties of 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline?
10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 726.93 g/mol, XLogP of 12.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 155019035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).