9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline

C48H34N4 — CID 163632731

IUPAC9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline
SMILESC1=C(c2ccccc2)c2c(ccc3ccc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)cc23)NC1c1ccccc1
InChIInChI=1S/C48H34N4/c1-3-13-33(14-4-1)42-30-44(35-15-5-2-6-16-35)49-43-26-25-34-21-24-40(29-41(34)45(42)43)48-51-46(38-22-19-31-11-7-9-17-36(31)27-38)50-47(52-48)39-23-20-32-12-8-10-18-37(32)28-39/h1-30,44,46,49H,(H,50,51,52)
InChIKeyHXNGPJGMEVBCDK-UHFFFAOYSA-N
MW666.83 g/mol
LogP11.24
Rot. Bonds5

About 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline

9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline (PubChem CID 163632731) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline.

Molecular Properties

Compound Name9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline
PubChem CID163632731
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline
SMILESC1=C(c2ccccc2)c2c(ccc3ccc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)cc23)NC1c1ccccc1
InChIInChI=1S/C48H34N4/c1-3-13-33(14-4-1)42-30-44(35-15-5-2-6-16-35)49-43-26-25-34-21-24-40(29-41(34)45(42)43)48-51-46(38-22-19-31-11-7-9-17-36(31)27-38)50-47(52-48)39-23-20-32-12-8-10-18-37(32)28-39/h1-30,44,46,49H,(H,50,51,52)
InChIKeyHXNGPJGMEVBCDK-UHFFFAOYSA-N
XLogP11.24
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 511.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 166801416
2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 129090176
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 170412039
2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 146335798
4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029866
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163870306
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline?
The IUPAC name of 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline (CID 163632731) is 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline.
What is the SMILES notation for 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline?
The canonical SMILES for 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline is C1=C(c2ccccc2)c2c(ccc3ccc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)cc23)NC1c1ccccc1.
What is the InChIKey of 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline?
The InChIKey is HXNGPJGMEVBCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-3-13-33(14-4-1)42-30-44(35-15-5-2-6-16-35)49-43-26-25-34-21-24-40(29-41(34)45(42)43)48-51-46(38-22-19-31-11-7-9-17-36(31)27-38)50-47(52-48)39-23-20-32-12-8-10-18-37(32)28-39/h1-30,44,46,49H,(H,50,51,52).
What are the key properties of 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline?
9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline has a molecular weight of 666.83 g/mol, XLogP of 11.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline is sourced from PubChem (CID 163632731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).