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

C46H29NOS — CID 170240005

IUPACN-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3sc3ccccc34)c3c(-c4ccccc4)ccc4oc5cc6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(40-20-11-19-38-37-18-9-10-21-43(37)49-46(38)40)45-36(32-14-5-2-6-15-32)26-27-41-44(45)39-28-33-16-7-8-17-34(33)29-42(39)48-41/h1-29H
InChIKeySKXDHZXDMJQWDH-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

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

N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 170240005) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID170240005
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3sc3ccccc34)c3c(-c4ccccc4)ccc4oc5cc6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(40-20-11-19-38-37-18-9-10-21-43(37)49-46(38)40)45-36(32-14-5-2-6-15-32)26-27-41-44(45)39-28-33-16-7-8-17-34(33)29-42(39)48-41/h1-29H
InChIKeySKXDHZXDMJQWDH-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-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-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170675645
N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170675390
N-dibenzothiophen-4-yl-4-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170240129
N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 177131025
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 171435473
N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
CID 174291189
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675705
N-dibenzothiophen-4-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 171435177
N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435470
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
9-N-dibenzothiophen-4-yl-11-N-phenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856138
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-3-phenyldibenzothiophen-4-amine
CID 171435403

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 170240005) is N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc4c3sc3ccccc34)c3c(-c4ccccc4)ccc4oc5cc6ccccc6cc5c34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is SKXDHZXDMJQWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(40-20-11-19-38-37-18-9-10-21-43(37)49-46(38)40)45-36(32-14-5-2-6-15-32)26-27-41-44(45)39-28-33-16-7-8-17-34(33)29-42(39)48-41/h1-29H.
What are the key properties of N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 170240005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).