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

C46H30N4S — CID 146489531

IUPAC4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4nc(-c4cccc6ccccc46)c4sc6ccccc6c45)cc3)=N2)cc1
InChIInChI=1S/C46H30N4S/c1-3-14-31(15-4-1)44-48-45(32-16-5-2-6-17-32)50-46(49-44)33-27-25-30(26-28-33)35-21-12-23-38-40-37-20-9-10-24-39(37)51-43(40)42(47-41(35)38)36-22-11-18-29-13-7-8-19-34(29)36/h1-28,44H,(H,48,49,50)
InChIKeyZZIAUAPTIVJTBQ-UHFFFAOYSA-N
MW670.84 g/mol
LogP11.59
Rot. Bonds5

About 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

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 (PubChem CID 146489531) has the molecular formula C46H30N4S and a molecular weight of 670.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[2,3-c]quinoline
PubChem CID146489531
Molecular FormulaC46H30N4S
Molecular Weight670.84 g/mol
Exact Mass670.22
IUPAC Name4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4nc(-c4cccc6ccccc46)c4sc6ccccc6c45)cc3)=N2)cc1
InChIInChI=1S/C46H30N4S/c1-3-14-31(15-4-1)44-48-45(32-16-5-2-6-17-32)50-46(49-44)33-27-25-30(26-28-33)35-21-12-23-38-40-37-20-9-10-24-39(37)51-43(40)42(47-41(35)38)36-22-11-18-29-13-7-8-19-34(29)36/h1-28,44H,(H,48,49,50)
InChIKeyZZIAUAPTIVJTBQ-UHFFFAOYSA-N
XLogP11.59
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.84
LogP ≤ 511.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 142453353
4-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167132630
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
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174310067
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
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-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029732
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole
CID 146647440
2-(4-naphthalen-1-ylphenyl)-6-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 145340320
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 129227953

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4nc(-c4cccc6ccccc46)c4sc6ccccc6c45)cc3)=N2)cc1.
What is the InChIKey of 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?
The InChIKey is ZZIAUAPTIVJTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4S/c1-3-14-31(15-4-1)44-48-45(32-16-5-2-6-17-32)50-46(49-44)33-27-25-30(26-28-33)35-21-12-23-38-40-37-20-9-10-24-39(37)51-43(40)42(47-41(35)38)36-22-11-18-29-13-7-8-19-34(29)36/h1-28,44H,(H,48,49,50).
What are the key properties of 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?
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 has a molecular weight of 670.84 g/mol, XLogP of 11.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146489531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).