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

C42H27NOS — CID 167293286

IUPACN-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2-c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C42H27NOS/c1-3-12-28(13-4-1)32-18-11-19-37(42(32)29-22-24-34-33-16-7-9-20-38(33)44-39(34)26-29)43(30-14-5-2-6-15-30)31-23-25-36-35-17-8-10-21-40(35)45-41(36)27-31/h1-27H
InChIKeyUEFSHJNEJPBMPF-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

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

N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine (PubChem CID 167293286) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
PubChem CID167293286
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2-c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C42H27NOS/c1-3-12-28(13-4-1)32-18-11-19-37(42(32)29-22-24-34-33-16-7-9-20-38(33)44-39(34)26-29)43(30-14-5-2-6-15-30)31-23-25-36-35-17-8-10-21-40(35)45-41(36)27-31/h1-27H
InChIKeyUEFSHJNEJPBMPF-UHFFFAOYSA-N
XLogP12.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.75
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-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-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167293358
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170666001
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574
N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 167293295
N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
CID 170665599
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine (CID 167293286) is N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2-c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine?
The InChIKey is UEFSHJNEJPBMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-3-12-28(13-4-1)32-18-11-19-37(42(32)29-22-24-34-33-16-7-9-20-38(33)44-39(34)26-29)43(30-14-5-2-6-15-30)31-23-25-36-35-17-8-10-21-40(35)45-41(36)27-31/h1-27H.
What are the key properties of N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine?
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine has a molecular weight of 593.75 g/mol, XLogP of 12.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 167293286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).