N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C56H35NOS — CID 130289753

IUPACN-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c4sc4c(-c6ccccc6)cc6ccccc6c45)cc3)c3cccc4c3oc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C56H35NOS/c1-3-14-36(15-4-1)40-20-11-21-43(34-40)57(50-27-13-25-47-52-44-22-9-7-18-38(44)30-33-51(52)58-54(47)50)42-31-28-39(29-32-42)46-24-12-26-48-53-45-23-10-8-19-41(45)35-49(56(53)59-55(46)48)37-16-5-2-6-17-37/h1-35H
InChIKeyNLUGGEGIZSKGGK-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 130289753) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID130289753
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c4sc4c(-c6ccccc6)cc6ccccc6c45)cc3)c3cccc4c3oc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C56H35NOS/c1-3-14-36(15-4-1)40-20-11-21-43(34-40)57(50-27-13-25-47-52-44-22-9-7-18-38(44)30-33-51(52)58-54(47)50)42-31-28-39(29-32-42)46-24-12-26-48-53-45-23-10-8-19-41(45)35-49(56(53)59-55(46)48)37-16-5-2-6-17-37/h1-35H
InChIKeyNLUGGEGIZSKGGK-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine
CID 163475552
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177130990
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N-(4-dibenzofuran-4-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N-naphtho[2,1-b][1]benzofuran-6-yl-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine;N-naphtho[2,1-b][1]benzofuran-8-yl-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 159423427
N-(4-naphthalen-2-ylphenyl)-N,3-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177131034
N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167086724
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289750
N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290124

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 130289753) is N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4sc4c(-c6ccccc6)cc6ccccc6c45)cc3)c3cccc4c3oc3ccc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is NLUGGEGIZSKGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-3-14-36(15-4-1)40-20-11-21-43(34-40)57(50-27-13-25-47-52-44-22-9-7-18-38(44)30-33-51(52)58-54(47)50)42-31-28-39(29-32-42)46-24-12-26-48-53-45-23-10-8-19-41(45)35-49(56(53)59-55(46)48)37-16-5-2-6-17-37/h1-35H.
What are the key properties of N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 769.97 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 130289753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).