N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

C62H41NO — CID 166939002

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5ccc6ccccc6c5)c4)c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)cc3)c2)cc1
InChIInChI=1S/C62H41NO/c1-3-14-42(15-4-1)51-37-52(43-16-5-2-6-17-43)39-53(38-51)45-30-33-54(34-31-45)63(55-23-11-21-48(40-55)49-29-28-44-18-7-8-20-47(44)36-49)56-24-12-22-50(41-56)57-26-13-27-60-61(57)59-35-32-46-19-9-10-25-58(46)62(59)64-60/h1-41H
InChIKeyFUOTTWQHULVPMH-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

About N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (PubChem CID 166939002) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
PubChem CID166939002
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5ccc6ccccc6c5)c4)c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)cc3)c2)cc1
InChIInChI=1S/C62H41NO/c1-3-14-42(15-4-1)51-37-52(43-16-5-2-6-17-43)39-53(38-51)45-30-33-54(34-31-45)63(55-23-11-21-48(40-55)49-29-28-44-18-7-8-20-47(44)36-49)56-24-12-22-50(41-56)57-26-13-27-60-61(57)59-35-32-46-19-9-10-25-58(46)62(59)64-60/h1-41H
InChIKeyFUOTTWQHULVPMH-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167331254
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 174258690
N-(4-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167330723
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(3-phenylphenyl)aniline
CID 167330067
N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330309
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 167331271
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330248

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (CID 166939002) is N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5ccc6ccccc6c5)c4)c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The InChIKey is FUOTTWQHULVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-14-42(15-4-1)51-37-52(43-16-5-2-6-17-43)39-53(38-51)45-30-33-54(34-31-45)63(55-23-11-21-48(40-55)49-29-28-44-18-7-8-20-47(44)36-49)56-24-12-22-50(41-56)57-26-13-27-60-61(57)59-35-32-46-19-9-10-25-58(46)62(59)64-60/h1-41H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is sourced from PubChem (CID 166939002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).