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

C70H57NO — CID 170296938

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C70H57NO/c1-69(2,3)52-41-51(42-53(45-52)70(4,5)6)59-33-18-25-48-26-19-35-61(67(48)59)60-30-12-14-36-63(60)71(54-28-16-27-49(43-54)58-34-20-38-66-68(58)62-31-13-15-37-65(62)72-66)64-44-50(39-40-57(64)47-21-8-7-9-22-47)56-32-17-24-46-23-10-11-29-55(46)56/h7-45H,1-6H3
InChIKeyCDSGTJVUMQXFJH-UHFFFAOYSA-N
MW928.23 g/mol
LogP20.29
Rot. Bonds8

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

N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline (PubChem CID 170296938) has the molecular formula C70H57NO and a molecular weight of 928.23 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline
PubChem CID170296938
Molecular FormulaC70H57NO
Molecular Weight928.23 g/mol
Exact Mass927.44
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C70H57NO/c1-69(2,3)52-41-51(42-53(45-52)70(4,5)6)59-33-18-25-48-26-19-35-61(67(48)59)60-30-12-14-36-63(60)71(54-28-16-27-49(43-54)58-34-20-38-66-68(58)62-31-13-15-37-65(62)72-66)64-44-50(39-40-57(64)47-21-8-7-9-22-47)56-32-17-24-46-23-10-11-29-55(46)56/h7-45H,1-6H3
InChIKeyCDSGTJVUMQXFJH-UHFFFAOYSA-N
XLogP20.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.23
LogP ≤ 520.29
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
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170296789
5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290061
3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170295103
2-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290050
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301232
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-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine
CID 170296496
N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167233850
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170298333
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 170301949

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline (CID 170296938) is N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline?
The InChIKey is CDSGTJVUMQXFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H57NO/c1-69(2,3)52-41-51(42-53(45-52)70(4,5)6)59-33-18-25-48-26-19-35-61(67(48)59)60-30-12-14-36-63(60)71(54-28-16-27-49(43-54)58-34-20-38-66-68(58)62-31-13-15-37-65(62)72-66)64-44-50(39-40-57(64)47-21-8-7-9-22-47)56-32-17-24-46-23-10-11-29-55(46)56/h7-45H,1-6H3.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline?
N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline has a molecular weight of 928.23 g/mol, XLogP of 20.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline is sourced from PubChem (CID 170296938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).