6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one

C31H19N5O — CID 171606304

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one
SMILESO=c1c2ccccc2nc2c3ccccc3cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n12
InChIInChI=1S/C31H19N5O/c37-31-24-17-9-10-18-25(24)32-30-23-16-8-7-15-22(23)19-26(36(30)31)29-34-27(20-11-3-1-4-12-20)33-28(35-29)21-13-5-2-6-14-21/h1-19H
InChIKeyMUNRCARMTMALIS-UHFFFAOYSA-N
MW477.53 g/mol
LogP6.19
Rot. Bonds3

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one

6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one (PubChem CID 171606304) has the molecular formula C31H19N5O and a molecular weight of 477.53 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one
PubChem CID171606304
Molecular FormulaC31H19N5O
Molecular Weight477.53 g/mol
Exact Mass477.16
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one
SMILESO=c1c2ccccc2nc2c3ccccc3cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n12
InChIInChI=1S/C31H19N5O/c37-31-24-17-9-10-18-25(24)32-30-23-16-8-7-15-22(23)19-26(36(30)31)29-34-27(20-11-3-1-4-12-20)33-28(35-29)21-13-5-2-6-14-21/h1-19H
InChIKeyMUNRCARMTMALIS-UHFFFAOYSA-N
XLogP6.19
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

21-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9,17,25-tetrazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,19(24),20,22-undecaen-18-one
CID 165126102
6-phenylisoquinolino[2,1-b]isoquinolin-8-one
CID 164679594
6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]quinoxalino[2,1-b]quinazolin-12-one
CID 164913505
5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one
CID 146639211
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 138980951
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
3-bromoquinazolino[3,2-f]phenanthridin-14-one
CID 164913573
3-phenyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 3569212
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,12-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),2,4,6,8,10,14,16,18,20-decaen-13-one
CID 171606286
12-phenyl-9-(10-phenylanthracen-9-yl)isoquinolino[2,1-a]quinazolin-6-one
CID 171448073
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776379

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one (CID 171606304) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one is O=c1c2ccccc2nc2c3ccccc3cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n12.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one?
The InChIKey is MUNRCARMTMALIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5O/c37-31-24-17-9-10-18-25(24)32-30-23-16-8-7-15-22(23)19-26(36(30)31)29-34-27(20-11-3-1-4-12-20)33-28(35-29)21-13-5-2-6-14-21/h1-19H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one has a molecular weight of 477.53 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one is sourced from PubChem (CID 171606304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).