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

C46H29NOS — CID 170675390

IUPACN-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c4c3oc3cc5ccccc5cc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(41-20-11-19-38-37-18-9-10-21-43(37)49-46(38)41)40-27-26-36(32-14-5-2-6-15-32)44-39-28-33-16-7-8-17-34(33)29-42(39)48-45(40)44/h1-29H
InChIKeySBSJFKFCQKVFNM-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

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

N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 170675390) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
PubChem CID170675390
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c4c3oc3cc5ccccc5cc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(41-20-11-19-38-37-18-9-10-21-43(37)49-46(38)41)40-27-26-36(32-14-5-2-6-15-32)44-39-28-33-16-7-8-17-34(33)29-42(39)48-45(40)44/h1-29H
InChIKeySBSJFKFCQKVFNM-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-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-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-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 170240005
N-dibenzothiophen-4-yl-4-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170240129
N-dibenzothiophen-4-yl-N-phenanthren-9-yl-1-phenyldibenzofuran-4-amine
CID 171434504
N-dibenzothiophen-4-yl-8-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675043
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435269
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069412
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzothiophen-4-yl-9-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675281
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-yl-1-phenyldibenzofuran-4-amine
CID 168809995

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (CID 170675390) is N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c4c3oc3cc5ccccc5cc34)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is SBSJFKFCQKVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(41-20-11-19-38-37-18-9-10-21-43(37)49-46(38)41)40-27-26-36(32-14-5-2-6-15-32)44-39-28-33-16-7-8-17-34(33)29-42(39)48-45(40)44/h1-29H.
What are the key properties of N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-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-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 170675390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).