N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine

C60H40N2O2 — CID 167086811

IUPACN-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5cccc6oc7ccccc7c56)c4)c3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C60H40N2O2/c1-3-17-41(18-4-1)43-21-11-25-47(37-43)61(53-31-15-35-57-59(53)51-29-7-9-33-55(51)63-57)49-27-13-23-45(39-49)46-24-14-28-50(40-46)62(48-26-12-22-44(38-48)42-19-5-2-6-20-42)54-32-16-36-58-60(54)52-30-8-10-34-56(52)64-58/h1-40H
InChIKeyFQMIMKZBUUBZDB-UHFFFAOYSA-N
MW820.99 g/mol
LogP17.43
Rot. Bonds9

About N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine

N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167086811) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID167086811
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC NameN-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5cccc6oc7ccccc7c56)c4)c3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C60H40N2O2/c1-3-17-41(18-4-1)43-21-11-25-47(37-43)61(53-31-15-35-57-59(53)51-29-7-9-33-55(51)63-57)49-27-13-23-45(39-49)46-24-14-28-50(40-46)62(48-26-12-22-44(38-48)42-19-5-2-6-20-42)54-32-16-36-58-60(54)52-30-8-10-34-56(52)64-58/h1-40H
InChIKeyFQMIMKZBUUBZDB-UHFFFAOYSA-N
XLogP17.43
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.99
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 174321862
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89254671
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 167086811) is N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5cccc6oc7ccccc7c56)c4)c3)c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is FQMIMKZBUUBZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-3-17-41(18-4-1)43-21-11-25-47(37-43)61(53-31-15-35-57-59(53)51-29-7-9-33-55(51)63-57)49-27-13-23-45(39-49)46-24-14-28-50(40-46)62(48-26-12-22-44(38-48)42-19-5-2-6-20-42)54-32-16-36-58-60(54)52-30-8-10-34-56(52)64-58/h1-40H.
What are the key properties of N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 820.99 g/mol, XLogP of 17.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167086811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).