N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine

C56H37NO — CID 170126684

IUPACN-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)c(-c4ccccc4)c3)c3ccc4cc(-c5ccccc5)ccc4c3)c2)cc1
InChIInChI=1S/C56H37NO/c1-4-13-38(14-5-1)42-19-12-20-47(34-42)57(48-29-27-44-33-43(24-25-45(44)35-48)39-15-6-2-7-16-39)49-30-31-50(52(37-49)40-17-8-3-9-18-40)46-26-23-41-28-32-55-56(53(41)36-46)51-21-10-11-22-54(51)58-55/h1-37H
InChIKeyRTXJXLRJLHGPOS-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine

N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 170126684) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
PubChem CID170126684
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)c(-c4ccccc4)c3)c3ccc4cc(-c5ccccc5)ccc4c3)c2)cc1
InChIInChI=1S/C56H37NO/c1-4-13-38(14-5-1)42-19-12-20-47(34-42)57(48-29-27-44-33-43(24-25-45(44)35-48)39-15-6-2-7-16-39)49-30-31-50(52(37-49)40-17-8-3-9-18-40)46-26-23-41-28-32-55-56(53(41)36-46)51-21-10-11-22-54(51)58-55/h1-37H
InChIKeyRTXJXLRJLHGPOS-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126650
N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170127172
N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 176765434
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-[4-(5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N,3-diphenylaniline
CID 176765144
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-(2-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 170136482
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine (CID 170126684) is N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)c(-c4ccccc4)c3)c3ccc4cc(-c5ccccc5)ccc4c3)c2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine?
The InChIKey is RTXJXLRJLHGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-13-38(14-5-1)42-19-12-20-47(34-42)57(48-29-27-44-33-43(24-25-45(44)35-48)39-15-6-2-7-16-39)49-30-31-50(52(37-49)40-17-8-3-9-18-40)46-26-23-41-28-32-55-56(53(41)36-46)51-21-10-11-22-54(51)58-55/h1-37H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine?
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170126684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).