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

C62H63NO — CID 170296496

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccccc2-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C62H63NO/c1-59(2,3)43-33-41(34-44(37-43)60(4,5)6)48-23-13-16-28-54(48)63(47-31-32-57-53(39-47)51-25-15-18-30-56(51)64-57)55-29-17-14-24-50(55)52-27-20-22-40-21-19-26-49(58(40)52)42-35-45(61(7,8)9)38-46(36-42)62(10,11)12/h13-39H,1-12H3
InChIKeyQABFLUVPIQBWID-UHFFFAOYSA-N
MW838.19 g/mol
LogP18.40
Rot. Bonds6

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 170296496) has the molecular formula C62H63NO and a molecular weight of 838.19 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID170296496
Molecular FormulaC62H63NO
Molecular Weight838.19 g/mol
Exact Mass837.49
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccccc2-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C62H63NO/c1-59(2,3)43-33-41(34-44(37-43)60(4,5)6)48-23-13-16-28-54(48)63(47-31-32-57-53(39-47)51-25-15-18-30-56(51)64-57)55-29-17-14-24-50(55)52-27-20-22-40-21-19-26-49(58(40)52)42-35-45(61(7,8)9)38-46(36-42)62(10,11)12/h13-39H,1-12H3
InChIKeyQABFLUVPIQBWID-UHFFFAOYSA-N
XLogP18.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.19
LogP ≤ 518.40
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
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-phenanthren-1-ylphenyl)dibenzofuran-3-amine
CID 170301931
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-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170295103
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300046
N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 170296938
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-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 170301949
2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299811

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine (CID 170296496) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine is CC(C)(C)c1cc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccccc2-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is QABFLUVPIQBWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H63NO/c1-59(2,3)43-33-41(34-44(37-43)60(4,5)6)48-23-13-16-28-54(48)63(47-31-32-57-53(39-47)51-25-15-18-30-56(51)64-57)55-29-17-14-24-50(55)52-27-20-22-40-21-19-26-49(58(40)52)42-35-45(61(7,8)9)38-46(36-42)62(10,11)12/h13-39H,1-12H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 838.19 g/mol, XLogP of 18.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 170296496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).