N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine

C48H31NOS — CID 170665574

IUPACN-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cccc(-c3ccc4c(c3)sc3ccccc34)c2-c2ccccc2)cc1
InChIInChI=1S/C48H31NOS/c1-3-14-32(15-4-1)36-18-7-10-22-42(36)49(35-27-29-45-41(31-35)38-19-8-11-24-44(38)50-45)43-23-13-21-37(48(43)33-16-5-2-6-17-33)34-26-28-40-39-20-9-12-25-46(39)51-47(40)30-34/h1-31H
InChIKeyNEJVNELXMGTHRR-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.42
Rot. Bonds6

About N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine

N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 170665574) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID170665574
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC NameN-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cccc(-c3ccc4c(c3)sc3ccccc34)c2-c2ccccc2)cc1
InChIInChI=1S/C48H31NOS/c1-3-14-32(15-4-1)36-18-7-10-22-42(36)49(35-27-29-45-41(31-35)38-19-8-11-24-44(38)50-45)43-23-13-21-37(48(43)33-16-5-2-6-17-33)34-26-28-40-39-20-9-12-25-46(39)51-47(40)30-34/h1-31H
InChIKeyNEJVNELXMGTHRR-UHFFFAOYSA-N
XLogP14.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.85
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-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-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
CID 170665860
N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
CID 170665599
N-(4-dibenzothiophen-3-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502200
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790885
N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 170666068
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170666001

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine (CID 170665574) is N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cccc(-c3ccc4c(c3)sc3ccccc34)c2-c2ccccc2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is NEJVNELXMGTHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-3-14-32(15-4-1)36-18-7-10-22-42(36)49(35-27-29-45-41(31-35)38-19-8-11-24-44(38)50-45)43-23-13-21-37(48(43)33-16-5-2-6-17-33)34-26-28-40-39-20-9-12-25-46(39)51-47(40)30-34/h1-31H.
What are the key properties of N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 669.85 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170665574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).