N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline

C60H45NO — CID 170300987

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccccc2-c2cccc3c2ccc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C60H45NO/c1-2-17-40(18-3-1)46-27-14-20-42-21-15-30-54(60(42)46)51-25-8-12-33-57(51)61(55-31-10-6-23-45(55)43-36-38-53-52-26-9-13-34-58(52)62-59(53)39-43)56-32-11-7-24-50(56)48-29-16-28-47-44-22-5-4-19-41(44)35-37-49(47)48/h4-16,19-40H,1-3,17-18H2
InChIKeyJHXXRMOBTKPPEP-UHFFFAOYSA-N
MW796.03 g/mol
LogP17.56
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline (PubChem CID 170300987) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
PubChem CID170300987
Molecular FormulaC60H45NO
Molecular Weight796.03 g/mol
Exact Mass795.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccccc2-c2cccc3c2ccc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C60H45NO/c1-2-17-40(18-3-1)46-27-14-20-42-21-15-30-54(60(42)46)51-25-8-12-33-57(51)61(55-31-10-6-23-45(55)43-36-38-53-52-26-9-13-34-58(52)62-59(53)39-43)56-32-11-7-24-50(56)48-29-16-28-47-44-22-5-4-19-41(44)35-37-49(47)48/h4-16,19-40H,1-3,17-18H2
InChIKeyJHXXRMOBTKPPEP-UHFFFAOYSA-N
XLogP17.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-phenanthren-1-ylphenyl)aniline
CID 170300881
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
CID 170296019
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(3-phenanthren-1-ylphenyl)aniline
CID 170300878
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]-2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302741
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170301128
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-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170295954
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
CID 170295801
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300578

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline (CID 170300987) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline is c1ccc(N(c2ccccc2-c2cccc3c2ccc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline?
The InChIKey is JHXXRMOBTKPPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-2-17-40(18-3-1)46-27-14-20-42-21-15-30-54(60(42)46)51-25-8-12-33-57(51)61(55-31-10-6-23-45(55)43-36-38-53-52-26-9-13-34-58(52)62-59(53)39-43)56-32-11-7-24-50(56)48-29-16-28-47-44-22-5-4-19-41(44)35-37-49(47)48/h4-16,19-40H,1-3,17-18H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline has a molecular weight of 796.03 g/mol, XLogP of 17.56, 7 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]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline is sourced from PubChem (CID 170300987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).