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

C62H39NO2 — CID 134337497

IUPACN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)cc3)c3ccc(-c4cc5ccccc5c5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H39NO2/c1-3-14-40(15-4-1)41-26-32-47(33-27-41)63(49-36-30-44(31-37-49)56-39-45-18-7-9-20-50(45)58-53-22-11-12-25-57(53)64-61(56)58)48-34-28-43(29-35-48)52-23-13-24-54-59-51-21-10-8-19-46(51)38-55(62(59)65-60(52)54)42-16-5-2-6-17-42/h1-39H
InChIKeyTWPNGYSKBMQHEZ-UHFFFAOYSA-N
MW830.00 g/mol
LogP17.93
Rot. Bonds7

About 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

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 (PubChem CID 134337497) has the molecular formula C62H39NO2 and a molecular weight of 830.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
PubChem CID134337497
Molecular FormulaC62H39NO2
Molecular Weight830.00 g/mol
Exact Mass829.30
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)cc3)c3ccc(-c4cc5ccccc5c5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H39NO2/c1-3-14-40(15-4-1)41-26-32-47(33-27-41)63(49-36-30-44(31-37-49)56-39-45-18-7-9-20-50(45)58-53-22-11-12-25-57(53)64-61(56)58)48-34-28-43(29-35-48)52-23-13-24-54-59-51-21-10-8-19-46(51)38-55(62(59)65-60(52)54)42-16-5-2-6-17-42/h1-39H
InChIKeyTWPNGYSKBMQHEZ-UHFFFAOYSA-N
XLogP17.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)cc3)c3ccc(-c4cc5ccccc5c5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is TWPNGYSKBMQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2/c1-3-14-40(15-4-1)41-26-32-47(33-27-41)63(49-36-30-44(31-37-49)56-39-45-18-7-9-20-50(45)58-53-22-11-12-25-57(53)64-61(56)58)48-34-28-43(29-35-48)52-23-13-24-54-59-51-21-10-8-19-46(51)38-55(62(59)65-60(52)54)42-16-5-2-6-17-42/h1-39H.
What are the key properties of 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?
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 has a molecular weight of 830.00 g/mol, XLogP of 17.93, 7 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)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline is sourced from PubChem (CID 134337497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).