N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine

C50H39NO — CID 170300885

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C50H39NO/c1-2-16-35(17-3-1)39-24-12-19-36-20-13-25-43(49(36)39)40-21-6-9-28-46(40)51(38-32-31-34-15-4-5-18-37(34)33-38)47-29-10-7-22-41(47)44-26-14-27-45-42-23-8-11-30-48(42)52-50(44)45/h4-15,18-33,35H,1-3,16-17H2
InChIKeyPWBPNGZIXIPOSB-UHFFFAOYSA-N
MW669.87 g/mol
LogP14.74
Rot. Bonds6

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine (PubChem CID 170300885) has the molecular formula C50H39NO and a molecular weight of 669.87 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
PubChem CID170300885
Molecular FormulaC50H39NO
Molecular Weight669.87 g/mol
Exact Mass669.30
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C50H39NO/c1-2-16-35(17-3-1)39-24-12-19-36-20-13-25-43(49(36)39)40-21-6-9-28-46(40)51(38-32-31-34-15-4-5-18-37(34)33-38)47-29-10-7-22-41(47)44-26-14-27-45-42-23-8-11-30-48(42)52-50(44)45/h4-15,18-33,35H,1-3,16-17H2
InChIKeyPWBPNGZIXIPOSB-UHFFFAOYSA-N
XLogP14.74
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.87
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 170300874
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 170300560
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-2-amine
CID 170299554
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170299509
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302903
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 170300936
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170299090
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170300693
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline
CID 170300934
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302893
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(3-phenanthren-1-ylphenyl)aniline
CID 170300878

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine (CID 170300885) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine?
The InChIKey is PWBPNGZIXIPOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NO/c1-2-16-35(17-3-1)39-24-12-19-36-20-13-25-43(49(36)39)40-21-6-9-28-46(40)51(38-32-31-34-15-4-5-18-37(34)33-38)47-29-10-7-22-41(47)44-26-14-27-45-42-23-8-11-30-48(42)52-50(44)45/h4-15,18-33,35H,1-3,16-17H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine has a molecular weight of 669.87 g/mol, XLogP of 14.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170300885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).