N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine

C58H38N2O2 — CID 146583032

IUPACN-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c(-c4ccc5ccccc5c4)c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C58H38N2O2/c1-3-17-44(18-4-1)59(51-23-13-27-55-57(51)47-21-9-11-25-53(47)61-55)46-34-31-40(32-35-46)42-33-36-50(49(38-42)43-30-29-39-15-7-8-16-41(39)37-43)60(45-19-5-2-6-20-45)52-24-14-28-56-58(52)48-22-10-12-26-54(48)62-56/h1-38H
InChIKeyWGAVIPBMWJVGEY-UHFFFAOYSA-N
MW794.95 g/mol
LogP16.91
Rot. Bonds8

About N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine

N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine (PubChem CID 146583032) has the molecular formula C58H38N2O2 and a molecular weight of 794.95 g/mol. Its IUPAC name is N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
PubChem CID146583032
Molecular FormulaC58H38N2O2
Molecular Weight794.95 g/mol
Exact Mass794.29
IUPAC NameN-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c(-c4ccc5ccccc5c4)c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C58H38N2O2/c1-3-17-44(18-4-1)59(51-23-13-27-55-57(51)47-21-9-11-25-53(47)61-55)46-34-31-40(32-35-46)42-33-36-50(49(38-42)43-30-29-39-15-7-8-16-41(39)37-43)60(45-19-5-2-6-20-45)52-24-14-28-56-58(52)48-22-10-12-26-54(48)62-56/h1-38H
InChIKeyWGAVIPBMWJVGEY-UHFFFAOYSA-N
XLogP16.91
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.95
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810557
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-[4-[3-naphthalen-2-yl-4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 146582612
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine (CID 146583032) is N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c(-c4ccc5ccccc5c4)c3)cc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine?
The InChIKey is WGAVIPBMWJVGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2/c1-3-17-44(18-4-1)59(51-23-13-27-55-57(51)47-21-9-11-25-53(47)61-55)46-34-31-40(32-35-46)42-33-36-50(49(38-42)43-30-29-39-15-7-8-16-41(39)37-43)60(45-19-5-2-6-20-45)52-24-14-28-56-58(52)48-22-10-12-26-54(48)62-56/h1-38H.
What are the key properties of N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine?
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine has a molecular weight of 794.95 g/mol, XLogP of 16.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 146583032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).