3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine

C70H48N2O — CID 162770461

IUPAC3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C70H48N2O/c1-4-15-49(16-5-1)53-29-37-60(38-30-53)71(61-39-31-54(32-40-61)50-17-6-2-7-18-50)64-46-59(58-28-27-52-21-10-11-22-57(52)45-58)47-65(48-64)72(62-41-33-55(34-42-62)51-19-8-3-9-20-51)63-43-35-56(36-44-63)66-24-14-25-68-67-23-12-13-26-69(67)73-70(66)68/h1-48H
InChIKeyMXKZKESIZGEQPH-UHFFFAOYSA-N
MW933.17 g/mol
LogP20.01
Rot. Bonds11

About 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine

3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 162770461) has the molecular formula C70H48N2O and a molecular weight of 933.17 g/mol. Its IUPAC name is 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
PubChem CID162770461
Molecular FormulaC70H48N2O
Molecular Weight933.17 g/mol
Exact Mass932.38
IUPAC Name3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C70H48N2O/c1-4-15-49(16-5-1)53-29-37-60(38-30-53)71(61-39-31-54(32-40-61)50-17-6-2-7-18-50)64-46-59(58-28-27-52-21-10-11-22-57(52)45-58)47-65(48-64)72(62-41-33-55(34-42-62)51-19-8-3-9-20-51)63-43-35-56(36-44-63)66-24-14-25-68-67-23-12-13-26-69(67)73-70(66)68/h1-48H
InChIKeyMXKZKESIZGEQPH-UHFFFAOYSA-N
XLogP20.01
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.17
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
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
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168790758
3,5-di(dibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;bis(N-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenylnaphthalen-2-amine);3,5-di(dibenzofuran-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 160923165
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 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) is 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3)cc2)cc1.
What is the InChIKey of 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is MXKZKESIZGEQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O/c1-4-15-49(16-5-1)53-29-37-60(38-30-53)71(61-39-31-54(32-40-61)50-17-6-2-7-18-50)64-46-59(58-28-27-52-21-10-11-22-57(52)45-58)47-65(48-64)72(62-41-33-55(34-42-62)51-19-8-3-9-20-51)63-43-35-56(36-44-63)66-24-14-25-68-67-23-12-13-26-69(67)73-70(66)68/h1-48H.
What are the key properties of 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 933.17 g/mol, XLogP of 20.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 162770461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).