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

C62H63NO — CID 170296885

IUPAC3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)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)43-34-42(35-44(36-43)60(4,5)6)49-24-17-20-41-21-18-26-53(57(41)49)51-22-13-15-28-55(51)63(48-38-45(61(7,8)9)37-46(39-48)62(10,11)12)47-32-30-40(31-33-47)50-25-19-27-54-52-23-14-16-29-56(52)64-58(50)54/h13-39H,1-12H3
InChIKeyDDEXDJFLOQMLES-UHFFFAOYSA-N
MW838.19 g/mol
LogP18.40
Rot. Bonds6

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

3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline (PubChem CID 170296885) has the molecular formula C62H63NO and a molecular weight of 838.19 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
PubChem CID170296885
Molecular FormulaC62H63NO
Molecular Weight838.19 g/mol
Exact Mass837.49
IUPAC Name3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)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)43-34-42(35-44(36-43)60(4,5)6)49-24-17-20-41-21-18-26-53(57(41)49)51-22-13-15-28-55(51)63(48-38-45(61(7,8)9)37-46(39-48)62(10,11)12)47-32-30-40(31-33-47)50-25-19-27-54-52-23-14-16-29-56(52)64-58(50)54/h13-39H,1-12H3
InChIKeyDDEXDJFLOQMLES-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-(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-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300046
3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170295103
2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 170300169
N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-4-amine
CID 170296839
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine
CID 170296496
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 170301949
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
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 170300460
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline?
The IUPAC name of 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline (CID 170296885) is 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline.
What is the SMILES notation for 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline?
The canonical SMILES for 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline?
The InChIKey is DDEXDJFLOQMLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H63NO/c1-59(2,3)43-34-42(35-44(36-43)60(4,5)6)49-24-17-20-41-21-18-26-53(57(41)49)51-22-13-15-28-55(51)63(48-38-45(61(7,8)9)37-46(39-48)62(10,11)12)47-32-30-40(31-33-47)50-25-19-27-54-52-23-14-16-29-56(52)64-58(50)54/h13-39H,1-12H3.
What are the key properties of 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline?
3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline 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 3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline is sourced from PubChem (CID 170296885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).