N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine

C53H34N4O — CID 169280951

IUPACN-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)c34)c2)cc1
InChIInChI=1S/C53H34N4O/c1-3-14-35(15-4-1)40-22-11-23-41(32-40)57(42-29-28-36-16-7-8-20-39(36)33-42)43-30-31-46-49(34-43)58-48-27-13-26-47(50(46)48)53-55-51(38-18-5-2-6-19-38)54-52(56-53)45-25-12-21-37-17-9-10-24-44(37)45/h1-34H
InChIKeyDCBLRIRYMJKFTN-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.22
Rot. Bonds7

About N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine

N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 169280951) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID169280951
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC NameN-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)c34)c2)cc1
InChIInChI=1S/C53H34N4O/c1-3-14-35(15-4-1)40-22-11-23-41(32-40)57(42-29-28-36-16-7-8-20-39(36)33-42)43-30-31-46-49(34-43)58-48-27-13-26-47(50(46)48)53-55-51(38-18-5-2-6-19-38)54-52(56-53)45-25-12-21-37-17-9-10-24-44(37)45/h1-34H
InChIKeyDCBLRIRYMJKFTN-UHFFFAOYSA-N
XLogP14.22
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
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
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
2-naphthalen-1-yl-4-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 164798033
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176817623
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983
3-[9-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597111

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 169280951) is N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)c34)c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is DCBLRIRYMJKFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-3-14-35(15-4-1)40-22-11-23-41(32-40)57(42-29-28-36-16-7-8-20-39(36)33-42)43-30-31-46-49(34-43)58-48-27-13-26-47(50(46)48)53-55-51(38-18-5-2-6-19-38)54-52(56-53)45-25-12-21-37-17-9-10-24-44(37)45/h1-34H.
What are the key properties of N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 742.88 g/mol, XLogP of 14.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169280951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).