N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline

C68H43NO2 — CID 134337496

IUPACN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cc7ccccc7c56)cc4)c4ccc(-c5cc6ccccc6c6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H43NO2/c1-3-14-44(15-4-1)45-26-28-46(29-27-45)47-30-36-53(37-31-47)69(55-40-34-50(35-41-55)62-43-51-18-7-9-20-56(51)64-59-22-11-12-25-63(59)70-67(62)64)54-38-32-49(33-39-54)58-23-13-24-60-65-57-21-10-8-19-52(57)42-61(68(65)71-66(58)60)48-16-5-2-6-17-48/h1-43H
InChIKeyLOHPALVLAJPXQF-UHFFFAOYSA-N
MW906.10 g/mol
LogP19.60
Rot. Bonds8

About N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline

N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 134337496) has the molecular formula C68H43NO2 and a molecular weight of 906.10 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID134337496
Molecular FormulaC68H43NO2
Molecular Weight906.10 g/mol
Exact Mass905.33
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cc7ccccc7c56)cc4)c4ccc(-c5cc6ccccc6c6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H43NO2/c1-3-14-44(15-4-1)45-26-28-46(29-27-45)47-30-36-53(37-31-47)69(55-40-34-50(35-41-55)62-43-51-18-7-9-20-56(51)64-59-22-11-12-25-63(59)70-67(62)64)54-38-32-49(33-39-54)58-23-13-24-60-65-57-21-10-8-19-52(57)42-61(68(65)71-66(58)60)48-16-5-2-6-17-48/h1-43H
InChIKeyLOHPALVLAJPXQF-UHFFFAOYSA-N
XLogP19.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.10
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
CID 134337497
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-3-phenylaniline
CID 170030961
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844541
N-(4-dibenzofuran-4-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 161292494
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290660
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 134337496) is N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cc7ccccc7c56)cc4)c4ccc(-c5cc6ccccc6c6c5oc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is LOHPALVLAJPXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO2/c1-3-14-44(15-4-1)45-26-28-46(29-27-45)47-30-36-53(37-31-47)69(55-40-34-50(35-41-55)62-43-51-18-7-9-20-56(51)64-59-22-11-12-25-63(59)70-67(62)64)54-38-32-49(33-39-54)58-23-13-24-60-65-57-21-10-8-19-52(57)42-61(68(65)71-66(58)60)48-16-5-2-6-17-48/h1-43H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline?
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 906.10 g/mol, XLogP of 19.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 134337496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).