N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine

C50H33N3O — CID 166974750

IUPACN-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2cc(-c3cccc4oc5cc(-c6cccc(N(c7ccccc7)c7cccc8ccccc78)c6)ccc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H33N3O/c1-4-16-35(17-5-1)44-33-45(52-50(51-44)36-18-6-2-7-19-36)42-26-14-28-47-49(42)43-30-29-38(32-48(43)54-47)37-21-12-24-40(31-37)53(39-22-8-3-9-23-39)46-27-13-20-34-15-10-11-25-41(34)46/h1-33H
InChIKeyJELPMJCEPSUVJW-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.67
Rot. Bonds7

About N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 166974750) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID166974750
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC NameN-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2cc(-c3cccc4oc5cc(-c6cccc(N(c7ccccc7)c7cccc8ccccc78)c6)ccc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H33N3O/c1-4-16-35(17-5-1)44-33-45(52-50(51-44)36-18-6-2-7-19-36)42-26-14-28-47-49(42)43-30-29-38(32-48(43)54-47)37-21-12-24-40(31-37)53(39-22-8-3-9-23-39)46-27-13-20-34-15-10-11-25-41(34)46/h1-33H
InChIKeyJELPMJCEPSUVJW-UHFFFAOYSA-N
XLogP13.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170095768
N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 58028696
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383591
7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383587
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166867397
N-dibenzofuran-3-yl-9-(4,6-diphenylpyrimidin-2-yl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597034
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315
N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 163993269
9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 170020737
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046

Frequently Asked Questions

What is the IUPAC name of N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 166974750) is N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(-c2cc(-c3cccc4oc5cc(-c6cccc(N(c7ccccc7)c7cccc8ccccc78)c6)ccc5c34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is JELPMJCEPSUVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-16-35(17-5-1)44-33-45(52-50(51-44)36-18-6-2-7-19-36)42-26-14-28-47-49(42)43-30-29-38(32-48(43)54-47)37-21-12-24-40(31-37)53(39-22-8-3-9-23-39)46-27-13-20-34-15-10-11-25-41(34)46/h1-33H.
What are the key properties of N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 691.83 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 166974750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).