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

C50H33NO — CID 176810491

IUPACN-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4ccccc4c23)c(-c2ccc(-c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C50H33NO/c1-3-12-39-32-41(26-22-34(39)10-1)36-20-24-38(25-21-36)44-14-5-7-16-46(44)51(47-17-9-19-49-50(47)45-15-6-8-18-48(45)52-49)43-30-28-37(29-31-43)42-27-23-35-11-2-4-13-40(35)33-42/h1-33H
InChIKeyRGAHQVQLTLNHCF-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

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

N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 176810491) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID176810491
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4ccccc4c23)c(-c2ccc(-c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C50H33NO/c1-3-12-39-32-41(26-22-34(39)10-1)36-20-24-38(25-21-36)44-14-5-7-16-46(44)51(47-17-9-19-49-50(47)45-15-6-8-18-48(45)52-49)43-30-28-37(29-31-43)42-27-23-35-11-2-4-13-40(35)33-42/h1-33H
InChIKeyRGAHQVQLTLNHCF-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810557
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(4-naphthalen-2-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789792
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146583032
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167325122
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 169064515

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine (CID 176810491) is N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4ccccc4c23)c(-c2ccc(-c3ccc4ccccc4c3)cc2)c1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is RGAHQVQLTLNHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-12-39-32-41(26-22-34(39)10-1)36-20-24-38(25-21-36)44-14-5-7-16-46(44)51(47-17-9-19-49-50(47)45-15-6-8-18-48(45)52-49)43-30-28-37(29-31-43)42-27-23-35-11-2-4-13-40(35)33-42/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176810491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).