N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C64H43NO — CID 170294640

IUPACN-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H43NO/c1-4-17-45(18-5-1)54-39-35-50(42-59(54)47-21-8-3-9-22-47)44-33-37-52(38-34-44)65(53-26-14-25-49(41-53)51-36-40-63-60(43-51)57-28-11-13-32-62(57)66-63)61-31-12-10-27-56(61)58-30-16-24-48-23-15-29-55(64(48)58)46-19-6-2-7-20-46/h1-43H
InChIKeyKZKZLTIXGSPHAU-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170294640) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170294640
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H43NO/c1-4-17-45(18-5-1)54-39-35-50(42-59(54)47-21-8-3-9-22-47)44-33-37-52(38-34-44)65(53-26-14-25-49(41-53)51-36-40-63-60(43-51)57-28-11-13-32-62(57)66-63)61-31-12-10-27-56(61)58-30-16-24-48-23-15-29-55(64(48)58)46-19-6-2-7-20-46/h1-43H
InChIKeyKZKZLTIXGSPHAU-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

N-(3-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300509
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170301489
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294769
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503032
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170127172

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170294640) is N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is KZKZLTIXGSPHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-4-17-45(18-5-1)54-39-35-50(42-59(54)47-21-8-3-9-22-47)44-33-37-52(38-34-44)65(53-26-14-25-49(41-53)51-36-40-63-60(43-51)57-28-11-13-32-62(57)66-63)61-31-12-10-27-56(61)58-30-16-24-48-23-15-29-55(64(48)58)46-19-6-2-7-20-46/h1-43H.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)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 N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170294640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).