3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

C64H43NO — CID 170535101

IUPAC3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c2)cc1
InChIInChI=1S/C64H43NO/c1-3-12-44(13-4-1)54-32-38-59(49-15-5-2-6-16-49)61(42-54)50-30-36-57(37-31-50)65(58-19-11-18-52(41-58)55-33-39-64-62(43-55)60-20-9-10-21-63(60)66-64)56-34-28-47(29-35-56)46-22-24-48(25-23-46)53-27-26-45-14-7-8-17-51(45)40-53/h1-43H
InChIKeySRJVZHZXPAYKMW-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 170535101) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID170535101
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC Name3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c2)cc1
InChIInChI=1S/C64H43NO/c1-3-12-44(13-4-1)54-32-38-59(49-15-5-2-6-16-49)61(42-54)50-30-36-57(37-31-50)65(58-19-11-18-52(41-58)55-33-39-64-62(43-55)60-20-9-10-21-63(60)66-64)56-34-28-47(29-35-56)46-22-24-48(25-23-46)53-27-26-45-14-7-8-17-51(45)40-53/h1-43H
InChIKeySRJVZHZXPAYKMW-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167233976
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443601
3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline;bis(N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 160545889
N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 121443840

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (CID 170535101) is 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is SRJVZHZXPAYKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-3-12-44(13-4-1)54-32-38-59(49-15-5-2-6-16-49)61(42-54)50-30-36-57(37-31-50)65(58-19-11-18-52(41-58)55-33-39-64-62(43-55)60-20-9-10-21-63(60)66-64)56-34-28-47(29-35-56)46-22-24-48(25-23-46)53-27-26-45-14-7-8-17-51(45)40-53/h1-43H.
What are the key properties of 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 170535101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).