N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

C53H36N4O — CID 167143394

IUPACN-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESC1=CC2=CC=C(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3cc5ccccc5cc34)CC2C=C1
InChIInChI=1S/C53H36N4O/c1-4-14-35(15-5-1)37-24-27-43(28-25-37)57(44-29-26-36-16-10-11-21-40(36)30-44)45-33-47(50-46-31-41-22-12-13-23-42(41)32-48(46)58-49(50)34-45)53-55-51(38-17-6-2-7-18-38)54-52(56-53)39-19-8-3-9-20-39/h1-29,31-34,40H,30H2
InChIKeyMVVPOWUKPGTDIP-UHFFFAOYSA-N
MW744.90 g/mol
LogP13.69
Rot. Bonds7

About N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 167143394) has the molecular formula C53H36N4O and a molecular weight of 744.90 g/mol. Its IUPAC name is N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID167143394
Molecular FormulaC53H36N4O
Molecular Weight744.90 g/mol
Exact Mass744.29
IUPAC NameN-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESC1=CC2=CC=C(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3cc5ccccc5cc34)CC2C=C1
InChIInChI=1S/C53H36N4O/c1-4-14-35(15-5-1)37-24-27-43(28-25-37)57(44-29-26-36-16-10-11-21-40(36)30-44)45-33-47(50-46-31-41-22-12-13-23-42(41)32-48(46)58-49(50)34-45)53-55-51(38-17-6-2-7-18-38)54-52(56-53)39-19-8-3-9-20-39/h1-29,31-34,40H,30H2
InChIKeyMVVPOWUKPGTDIP-UHFFFAOYSA-N
XLogP13.69
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 167144570
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853565
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169294685
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757250
1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853971
2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164714650
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757161
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213

Frequently Asked Questions

What is the IUPAC name of N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (CID 167143394) is N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is C1=CC2=CC=C(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3cc5ccccc5cc34)CC2C=C1.
What is the InChIKey of N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is MVVPOWUKPGTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4O/c1-4-14-35(15-5-1)37-24-27-43(28-25-37)57(44-29-26-36-16-10-11-21-40(36)30-44)45-33-47(50-46-31-41-22-12-13-23-42(41)32-48(46)58-49(50)34-45)53-55-51(38-17-6-2-7-18-38)54-52(56-53)39-19-8-3-9-20-39/h1-29,31-34,40H,30H2.
What are the key properties of N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 744.90 g/mol, XLogP of 13.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 167143394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).