N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine

C48H31NOS — CID 159263634

IUPACN-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILES[2H]c1cc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)c(-c2ccccc2)c([2H])c1N(c1ccccc1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C48H31NOS/c1-4-15-32(16-5-1)36-22-12-24-40-41-25-13-23-39(47(41)50-46(36)40)37-30-29-35(31-43(37)33-17-6-2-7-18-33)49(34-19-8-3-9-20-34)44-27-14-26-42-38-21-10-11-28-45(38)51-48(42)44/h1-31H/i29D,31D
InChIKeyAFNZJQAGLDEYFP-XZPPRXEOSA-N
MW671.86 g/mol
LogP14.42
Rot. Bonds6

About N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine

N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 159263634) has the molecular formula C48H31NOS and a molecular weight of 671.86 g/mol. Its IUPAC name is N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine
PubChem CID159263634
Molecular FormulaC48H31NOS
Molecular Weight671.86 g/mol
Exact Mass671.23
IUPAC NameN-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILES[2H]c1cc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)c(-c2ccccc2)c([2H])c1N(c1ccccc1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C48H31NOS/c1-4-15-32(16-5-1)36-22-12-24-40-41-25-13-23-39(47(41)50-46(36)40)37-30-29-35(31-43(37)33-17-6-2-7-18-33)49(34-19-8-3-9-20-34)44-27-14-26-42-38-21-10-11-28-45(38)51-48(42)44/h1-31H/i29D,31D
InChIKeyAFNZJQAGLDEYFP-XZPPRXEOSA-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 ≤ 500671.86
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-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-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167402199
N-dibenzothiophen-4-yl-N-(4-dibenzothiophen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396325
N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 161332391
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 168804932
N-(4-dibenzofuran-1-ylphenyl)-N-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-amine
CID 167397291
N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502800
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine (CID 159263634) is N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine is [2H]c1cc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)c(-c2ccccc2)c([2H])c1N(c1ccccc1)c1cccc2c1sc1ccccc12.
What is the InChIKey of N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The InChIKey is AFNZJQAGLDEYFP-XZPPRXEOSA-N. The full InChI is InChI=1S/C48H31NOS/c1-4-15-32(16-5-1)36-22-12-24-40-41-25-13-23-39(47(41)50-46(36)40)37-30-29-35(31-43(37)33-17-6-2-7-18-33)49(34-19-8-3-9-20-34)44-27-14-26-42-38-21-10-11-28-45(38)51-48(42)44/h1-31H/i29D,31D.
What are the key properties of N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 671.86 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-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 159263634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).