1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine

C49H32N4O — CID 166974607

IUPAC1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc(N(c4ccccc4)c4ccccc4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H32N4O/c1-4-15-35(16-5-1)47-50-48(36-27-24-34(25-28-36)38-29-26-33-14-10-11-17-37(33)30-38)52-49(51-47)43-31-41(32-45-46(43)42-22-12-13-23-44(42)54-45)53(39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-32H
InChIKeyAABMKRUTLCRKSQ-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.06
Rot. Bonds7

About 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine

1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine (PubChem CID 166974607) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine.

Molecular Properties

Compound Name1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
PubChem CID166974607
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc(N(c4ccccc4)c4ccccc4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H32N4O/c1-4-15-35(16-5-1)47-50-48(36-27-24-34(25-28-36)38-29-26-33-14-10-11-17-37(33)30-38)52-49(51-47)43-31-41(32-45-46(43)42-22-12-13-23-44(42)54-45)53(39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-32H
InChIKeyAABMKRUTLCRKSQ-UHFFFAOYSA-N
XLogP13.06
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213
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-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176854014
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253216
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
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 154938603
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine?
The IUPAC name of 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine (CID 166974607) is 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine.
What is the SMILES notation for 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine?
The canonical SMILES for 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc(N(c4ccccc4)c4ccccc4)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine?
The InChIKey is AABMKRUTLCRKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-4-15-35(16-5-1)47-50-48(36-27-24-34(25-28-36)38-29-26-33-14-10-11-17-37(33)30-38)52-49(51-47)43-31-41(32-45-46(43)42-22-12-13-23-44(42)54-45)53(39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-32H.
What are the key properties of 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine?
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine has a molecular weight of 692.82 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine is sourced from PubChem (CID 166974607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).