3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline

C49H34N4O — CID 156553919

IUPAC3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
SMILESc1ccc(C2=NC(c3cc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3c5ccccc5ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C49H34N4O/c1-5-17-34(18-6-1)47-50-48(35-19-7-2-8-20-35)52-49(51-47)44-32-37(31-43-42-29-28-33-16-13-14-27-41(33)45(42)54-46(43)44)36-21-15-26-40(30-36)53(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-32,47H,(H,50,51,52)
InChIKeyUXFMFXYWEZLNBW-UHFFFAOYSA-N
MW694.84 g/mol
LogP12.37
Rot. Bonds7

About 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline

3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline (PubChem CID 156553919) has the molecular formula C49H34N4O and a molecular weight of 694.84 g/mol. Its IUPAC name is 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
PubChem CID156553919
Molecular FormulaC49H34N4O
Molecular Weight694.84 g/mol
Exact Mass694.27
IUPAC Name3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
SMILESc1ccc(C2=NC(c3cc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3c5ccccc5ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C49H34N4O/c1-5-17-34(18-6-1)47-50-48(35-19-7-2-8-20-35)52-49(51-47)44-32-37(31-43-42-29-28-33-16-13-14-27-41(33)45(42)54-46(43)44)36-21-15-26-40(30-36)53(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-32,47H,(H,50,51,52)
InChIKeyUXFMFXYWEZLNBW-UHFFFAOYSA-N
XLogP12.37
TPSA53.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 512.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 156553965
1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
CID 156550295
9-(4-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 163683449
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856374
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 166917437
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
N,8-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675105
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167029607

Frequently Asked Questions

What is the IUPAC name of 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The IUPAC name of 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline (CID 156553919) is 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The canonical SMILES for 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline is c1ccc(C2=NC(c3cc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3c5ccccc5ccc43)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The InChIKey is UXFMFXYWEZLNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O/c1-5-17-34(18-6-1)47-50-48(35-19-7-2-8-20-35)52-49(51-47)44-32-37(31-43-42-29-28-33-16-13-14-27-41(33)45(42)54-46(43)44)36-21-15-26-40(30-36)53(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-32,47H,(H,50,51,52).
What are the key properties of 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline has a molecular weight of 694.84 g/mol, XLogP of 12.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline is sourced from PubChem (CID 156553919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).