N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine

C52H39NOS — CID 170300822

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H39NOS/c1-2-15-34(16-3-1)37-23-12-17-35-18-13-24-43(51(35)37)38-19-4-8-27-46(38)53(36-31-32-41-40-21-6-10-29-48(40)54-49(41)33-36)47-28-9-5-20-39(47)44-25-14-26-45-42-22-7-11-30-50(42)55-52(44)45/h4-14,17-34H,1-3,15-16H2
InChIKeyYQKIDUGKVJAIOC-UHFFFAOYSA-N
MW725.96 g/mol
LogP15.96
Rot. Bonds6

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine (PubChem CID 170300822) has the molecular formula C52H39NOS and a molecular weight of 725.96 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
PubChem CID170300822
Molecular FormulaC52H39NOS
Molecular Weight725.96 g/mol
Exact Mass725.28
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H39NOS/c1-2-15-34(16-3-1)37-23-12-17-35-18-13-24-43(51(35)37)38-19-4-8-27-46(38)53(36-31-32-41-40-21-6-10-29-48(40)54-49(41)33-36)47-28-9-5-20-39(47)44-25-14-26-45-42-22-7-11-30-50(42)55-52(44)45/h4-14,17-34H,1-3,15-16H2
InChIKeyYQKIDUGKVJAIOC-UHFFFAOYSA-N
XLogP15.96
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.96
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-2-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)aniline
CID 170300719
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170300693
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-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 170300824
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300686
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300542
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170295830
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300650
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 170300855
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[4-(2-methyl-6,7-dihydrodibenzofuran-3-yl)phenyl]aniline
CID 170300711

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine (CID 170300822) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine?
The InChIKey is YQKIDUGKVJAIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NOS/c1-2-15-34(16-3-1)37-23-12-17-35-18-13-24-43(51(35)37)38-19-4-8-27-46(38)53(36-31-32-41-40-21-6-10-29-48(40)54-49(41)33-36)47-28-9-5-20-39(47)44-25-14-26-45-42-22-7-11-30-50(42)55-52(44)45/h4-14,17-34H,1-3,15-16H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine has a molecular weight of 725.96 g/mol, XLogP of 15.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170300822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).