2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline

C68H55NO — CID 170301995

IUPAC2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5c4ccc4ccccc45)c4ccccc4-c4cccc5oc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C68H55NO/c1-67(2,3)47-41-46(42-48(43-47)68(4,5)6)50-29-17-22-45-23-18-32-57(65(45)50)55-26-10-14-35-61(55)69(62-36-15-11-27-56(62)58-33-20-38-64-66(58)59-28-12-16-37-63(59)70-64)60-34-13-9-25-54(60)52-31-19-30-51-49-24-8-7-21-44(49)39-40-53(51)52/h7-43H,1-6H3
InChIKeyRHZLIHDKZURAIN-UHFFFAOYSA-N
MW902.19 g/mol
LogP19.78
Rot. Bonds7

About 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline

2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline (PubChem CID 170301995) has the molecular formula C68H55NO and a molecular weight of 902.19 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline
PubChem CID170301995
Molecular FormulaC68H55NO
Molecular Weight902.19 g/mol
Exact Mass901.43
IUPAC Name2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5c4ccc4ccccc45)c4ccccc4-c4cccc5oc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C68H55NO/c1-67(2,3)47-41-46(42-48(43-47)68(4,5)6)50-29-17-22-45-23-18-32-57(65(45)50)55-26-10-14-35-61(55)69(62-36-15-11-27-56(62)58-33-20-38-64-66(58)59-28-12-16-37-63(59)70-64)60-34-13-9-25-54(60)52-31-19-30-51-49-24-8-7-21-44(49)39-40-53(51)52/h7-43H,1-6H3
InChIKeyRHZLIHDKZURAIN-UHFFFAOYSA-N
XLogP19.78
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.19
LogP ≤ 519.78
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-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-3-amine
CID 170301931
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 170301949
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170301767
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301769
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine
CID 170296496
3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170295103
N-(2-dibenzofuran-3-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 170300185
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170296789
4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289851
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170291271
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-phenanthren-1-ylphenyl)-N-phenylaniline
CID 170290977
N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine
CID 170296839

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline (CID 170301995) is 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5c4ccc4ccccc45)c4ccccc4-c4cccc5oc6ccccc6c45)c23)cc(C(C)(C)C)c1.
What is the InChIKey of 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline?
The InChIKey is RHZLIHDKZURAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H55NO/c1-67(2,3)47-41-46(42-48(43-47)68(4,5)6)50-29-17-22-45-23-18-32-57(65(45)50)55-26-10-14-35-61(55)69(62-36-15-11-27-56(62)58-33-20-38-64-66(58)59-28-12-16-37-63(59)70-64)60-34-13-9-25-54(60)52-31-19-30-51-49-24-8-7-21-44(49)39-40-53(51)52/h7-43H,1-6H3.
What are the key properties of 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline?
2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline has a molecular weight of 902.19 g/mol, XLogP of 19.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline is sourced from PubChem (CID 170301995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).