5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C62H43N3O — CID 118604838

IUPAC5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cc(N(c3ccccc3)c3cccc4ccccc34)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C62H43N3O/c1-4-23-47(24-5-1)63(50-39-37-46(38-40-50)56-32-18-33-58-57-31-14-15-36-61(57)66-62(56)58)51-41-52(64(48-25-6-2-7-26-48)59-34-16-21-44-19-10-12-29-54(44)59)43-53(42-51)65(49-27-8-3-9-28-49)60-35-17-22-45-20-11-13-30-55(45)60/h1-43H
InChIKeyUOGVKXHXLNWMHW-UHFFFAOYSA-N
MW846.05 g/mol
LogP17.97
Rot. Bonds10

About 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 118604838) has the molecular formula C62H43N3O and a molecular weight of 846.05 g/mol. Its IUPAC name is 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID118604838
Molecular FormulaC62H43N3O
Molecular Weight846.05 g/mol
Exact Mass845.34
IUPAC Name5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cc(N(c3ccccc3)c3cccc4ccccc34)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C62H43N3O/c1-4-23-47(24-5-1)63(50-39-37-46(38-40-50)56-32-18-33-58-57-31-14-15-36-61(57)66-62(56)58)51-41-52(64(48-25-6-2-7-26-48)59-34-16-21-44-19-10-12-29-54(44)59)43-53(42-51)65(49-27-8-3-9-28-49)60-35-17-22-45-20-11-13-30-55(45)60/h1-43H
InChIKeyUOGVKXHXLNWMHW-UHFFFAOYSA-N
XLogP17.97
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393653
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192
4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162213494
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 118604838) is 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cc(N(c3ccccc3)c3cccc4ccccc34)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is UOGVKXHXLNWMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N3O/c1-4-23-47(24-5-1)63(50-39-37-46(38-40-50)56-32-18-33-58-57-31-14-15-36-61(57)66-62(56)58)51-41-52(64(48-25-6-2-7-26-48)59-34-16-21-44-19-10-12-29-54(44)59)43-53(42-51)65(49-27-8-3-9-28-49)60-35-17-22-45-20-11-13-30-55(45)60/h1-43H.
What are the key properties of 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 846.05 g/mol, XLogP of 17.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 118604838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).