3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C54H47NO — CID 170295103

IUPAC3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3oc4ccccc4c23)cc(C(C)(C)C)c1
InChIInChI=1S/C54H47NO/c1-53(2,3)38-33-39(54(4,5)6)35-40(34-38)55(48-30-14-11-24-43(48)45-28-18-32-50-52(45)46-25-12-15-31-49(46)56-50)47-29-13-10-23-42(47)44-27-17-22-37-21-16-26-41(51(37)44)36-19-8-7-9-20-36/h7-35H,1-6H3
InChIKeyNNDDQLMPMIUIDF-UHFFFAOYSA-N
MW725.98 g/mol
LogP15.81
Rot. Bonds6

About 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170295103) has the molecular formula C54H47NO and a molecular weight of 725.98 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170295103
Molecular FormulaC54H47NO
Molecular Weight725.98 g/mol
Exact Mass725.37
IUPAC Name3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3oc4ccccc4c23)cc(C(C)(C)C)c1
InChIInChI=1S/C54H47NO/c1-53(2,3)38-33-39(54(4,5)6)35-40(34-38)55(48-30-14-11-24-43(48)45-28-18-32-50-52(45)46-25-12-15-31-49(46)56-50)47-29-13-10-23-42(47)44-27-17-22-37-21-16-26-41(51(37)44)36-19-8-7-9-20-36/h7-35H,1-6H3
InChIKeyNNDDQLMPMIUIDF-UHFFFAOYSA-N
XLogP15.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.98
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170301767
3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289908
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170296789
3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288575
N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 170296938
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-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170296885
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 170301949
2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline
CID 170301995
N-(2-dibenzofuran-3-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 170300185
N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170295103) is 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3oc4ccccc4c23)cc(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is NNDDQLMPMIUIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47NO/c1-53(2,3)38-33-39(54(4,5)6)35-40(34-38)55(48-30-14-11-24-43(48)45-28-18-32-50-52(45)46-25-12-15-31-49(46)56-50)47-29-13-10-23-42(47)44-27-17-22-37-21-16-26-41(51(37)44)36-19-8-7-9-20-36/h7-35H,1-6H3.
What are the key properties of 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 725.98 g/mol, XLogP of 15.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170295103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).