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

C55H34N4O2 — CID 176853565

IUPACN-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C55H34N4O2/c1-3-13-35(14-4-1)37-25-27-41(28-26-37)59(42-29-30-50-46(32-42)44-19-9-11-21-48(44)60-50)43-33-47(52-45-20-10-12-22-49(45)61-51(52)34-43)55-57-53(38-16-5-2-6-17-38)56-54(58-55)40-24-23-36-15-7-8-18-39(36)31-40/h1-34H
InChIKeyILBPVAVQCZNASN-UHFFFAOYSA-N
MW782.90 g/mol
LogP14.96
Rot. Bonds7

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

N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 176853565) has the molecular formula C55H34N4O2 and a molecular weight of 782.90 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID176853565
Molecular FormulaC55H34N4O2
Molecular Weight782.90 g/mol
Exact Mass782.27
IUPAC NameN-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C55H34N4O2/c1-3-13-35(14-4-1)37-25-27-41(28-26-37)59(42-29-30-50-46(32-42)44-19-9-11-21-48(44)60-50)43-33-47(52-45-20-10-12-22-49(45)61-51(52)34-43)55-57-53(38-16-5-2-6-17-38)56-54(58-55)40-24-23-36-15-7-8-18-39(36)31-40/h1-34H
InChIKeyILBPVAVQCZNASN-UHFFFAOYSA-N
XLogP14.96
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.90
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853769
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
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 154938603
1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176854014
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253216
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 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) is N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is ILBPVAVQCZNASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O2/c1-3-13-35(14-4-1)37-25-27-41(28-26-37)59(42-29-30-50-46(32-42)44-19-9-11-21-48(44)60-50)43-33-47(52-45-20-10-12-22-49(45)61-51(52)34-43)55-57-53(38-16-5-2-6-17-38)56-54(58-55)40-24-23-36-15-7-8-18-39(36)31-40/h1-34H.
What are the key properties of N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 782.90 g/mol, XLogP of 14.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176853565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).