N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine

C52H33NO2 — CID 168771989

IUPACN-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccccc34)c3oc4c(-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-13-34(14-4-1)40-32-46-45-21-11-20-42(37-16-5-2-6-17-37)50(45)55-52(46)48(33-40)53(47-23-12-22-44-43-19-9-10-24-49(43)54-51(44)47)41-29-27-36(28-30-41)39-26-25-35-15-7-8-18-38(35)31-39/h1-33H
InChIKeyKDVGKPPCVVQAAI-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine

N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine (PubChem CID 168771989) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
PubChem CID168771989
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccccc34)c3oc4c(-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-13-34(14-4-1)40-32-46-45-21-11-20-42(37-16-5-2-6-17-37)50(45)55-52(46)48(33-40)53(47-23-12-22-44-43-19-9-10-24-49(43)54-51(44)47)41-29-27-36(28-30-41)39-26-25-35-15-7-8-18-38(35)31-39/h1-33H
InChIKeyKDVGKPPCVVQAAI-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
N-dibenzofuran-4-yl-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397315
N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 168772002
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176630547
4-(2-naphthalen-2-yldibenzofuran-4-yl)-N,N-diphenylaniline;2-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 161024145
3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770461
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine (CID 168771989) is N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine is c1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccccc34)c3oc4c(-c5ccccc5)cccc4c3c2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine?
The InChIKey is KDVGKPPCVVQAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-13-34(14-4-1)40-32-46-45-21-11-20-42(37-16-5-2-6-17-37)50(45)55-52(46)48(33-40)53(47-23-12-22-44-43-19-9-10-24-49(43)54-51(44)47)41-29-27-36(28-30-41)39-26-25-35-15-7-8-18-38(35)31-39/h1-33H.
What are the key properties of N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine?
N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 168771989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).