N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine

C58H55NO — CID 170296839

IUPACN-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cc(C(C)(C)C)ccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C58H55NO/c1-56(2,3)41-32-33-44(38-20-11-10-12-21-38)52(37-41)59(51-30-19-28-49-47-25-14-16-31-53(47)60-55(49)51)50-29-15-13-24-46(50)48-27-18-23-39-22-17-26-45(54(39)48)40-34-42(57(4,5)6)36-43(35-40)58(7,8)9/h10-37H,1-9H3
InChIKeyNZYCDIPOVNDBPT-UHFFFAOYSA-N
MW782.08 g/mol
LogP17.10
Rot. Bonds6

About N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine

N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine (PubChem CID 170296839) has the molecular formula C58H55NO and a molecular weight of 782.08 g/mol. Its IUPAC name is N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine
PubChem CID170296839
Molecular FormulaC58H55NO
Molecular Weight782.08 g/mol
Exact Mass781.43
IUPAC NameN-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cc(C(C)(C)C)ccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C58H55NO/c1-56(2,3)41-32-33-44(38-20-11-10-12-21-38)52(37-41)59(51-30-19-28-49-47-25-14-16-31-53(47)60-55(49)51)50-29-15-13-24-46(50)48-27-18-23-39-22-17-26-45(54(39)48)40-34-42(57(4,5)6)36-43(35-40)58(7,8)9/h10-37H,1-9H3
InChIKeyNZYCDIPOVNDBPT-UHFFFAOYSA-N
XLogP17.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.08
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170296789
3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170296885
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
2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline
CID 170301995
N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 170296938
3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170295103
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170291271
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170301767
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300046
N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine
CID 170293751
N-(2-dibenzofuran-3-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 170300185

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine (CID 170296839) is N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cc(C(C)(C)C)ccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is NZYCDIPOVNDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55NO/c1-56(2,3)41-32-33-44(38-20-11-10-12-21-38)52(37-41)59(51-30-19-28-49-47-25-14-16-31-53(47)60-55(49)51)50-29-15-13-24-46(50)48-27-18-23-39-22-17-26-45(54(39)48)40-34-42(57(4,5)6)36-43(35-40)58(7,8)9/h10-37H,1-9H3.
What are the key properties of N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine?
N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 782.08 g/mol, XLogP of 17.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 170296839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).