N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine

C56H37NO — CID 155423836

IUPACN-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cccc5ccccc45)c4cc5c(oc6cccc(-c7ccccc7-c7ccccc7)c65)c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-32-34-40(35-33-39)43-22-13-23-44(36-43)57(52-30-14-21-42-20-7-8-25-46(42)52)53-37-51-55-49(47-26-10-9-24-45(47)41-18-5-2-6-19-41)29-15-31-54(55)58-56(51)50-28-12-11-27-48(50)53/h1-37H
InChIKeyZHKFZNSCYWPRHM-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

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

N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423836) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423836
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cccc5ccccc45)c4cc5c(oc6cccc(-c7ccccc7-c7ccccc7)c65)c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-32-34-40(35-33-39)43-22-13-23-44(36-43)57(52-30-14-21-42-20-7-8-25-46(42)52)53-37-51-55-49(47-26-10-9-24-45(47)41-18-5-2-6-19-41)29-15-31-54(55)58-56(51)50-28-12-11-27-48(50)53/h1-37H
InChIKeyZHKFZNSCYWPRHM-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,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 147538410
N-naphthalen-1-yl-7-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423929
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N-naphthalen-2-yl-N,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
N-naphthalen-2-yl-N,7-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-1-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 159633429
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 159261204
N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423965
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423526

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (CID 155423836) is N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2ccc(-c3cccc(N(c4cccc5ccccc45)c4cc5c(oc6cccc(-c7ccccc7-c7ccccc7)c65)c5ccccc45)c3)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is ZHKFZNSCYWPRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-32-34-40(35-33-39)43-22-13-23-44(36-43)57(52-30-14-21-42-20-7-8-25-46(42)52)53-37-51-55-49(47-26-10-9-24-45(47)41-18-5-2-6-19-41)29-15-31-54(55)58-56(51)50-28-12-11-27-48(50)53/h1-37H.
What are the key properties of N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-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-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).