11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine

C51H38N4O — CID 156549186

IUPAC11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESC1=Cc2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)c7ccccc7c6c45)N3)cc2CC1
InChIInChI=1S/C51H38N4O/c1-3-18-39(19-4-1)55(40-20-5-2-6-21-40)44-32-46-47(42-23-12-11-22-41(42)44)48-43(24-13-25-45(48)56-46)51-53-49(37-28-26-33-14-7-9-16-35(33)30-37)52-50(54-51)38-29-27-34-15-8-10-17-36(34)31-38/h1-9,11-16,18-32,49,51,53H,10,17H2,(H,52,54)
InChIKeyNYBAADAICSALLR-UHFFFAOYSA-N
MW722.89 g/mol
LogP12.66
Rot. Bonds6

About 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine

11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 156549186) has the molecular formula C51H38N4O and a molecular weight of 722.89 g/mol. Its IUPAC name is 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
PubChem CID156549186
Molecular FormulaC51H38N4O
Molecular Weight722.89 g/mol
Exact Mass722.30
IUPAC Name11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESC1=Cc2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)c7ccccc7c6c45)N3)cc2CC1
InChIInChI=1S/C51H38N4O/c1-3-18-39(19-4-1)55(40-20-5-2-6-21-40)44-32-46-47(42-23-12-11-22-41(42)44)48-43(24-13-25-45(48)56-46)51-53-49(37-28-26-33-14-7-9-16-35(33)30-37)52-50(54-51)38-29-27-34-15-8-10-17-36(34)31-38/h1-9,11-16,18-32,49,51,53H,10,17H2,(H,52,54)
InChIKeyNYBAADAICSALLR-UHFFFAOYSA-N
XLogP12.66
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 512.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine with MolForge

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Related Compounds

N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine
CID 154968660
7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole
CID 156549130
2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 167403162
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
2-(3-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-6-phenanthren-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029886
11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363481
2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163593537
5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 166801193
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363460
4-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875

Frequently Asked Questions

What is the IUPAC name of 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine (CID 156549186) is 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine is C1=Cc2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)c7ccccc7c6c45)N3)cc2CC1.
What is the InChIKey of 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is NYBAADAICSALLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N4O/c1-3-18-39(19-4-1)55(40-20-5-2-6-21-40)44-32-46-47(42-23-12-11-22-41(42)44)48-43(24-13-25-45(48)56-46)51-53-49(37-28-26-33-14-7-9-16-35(33)30-37)52-50(54-51)38-29-27-34-15-8-10-17-36(34)31-38/h1-9,11-16,18-32,49,51,53H,10,17H2,(H,52,54).
What are the key properties of 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine?
11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 722.89 g/mol, XLogP of 12.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 156549186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).