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

C48H31NOS — CID 161332391

IUPACN-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine
SMILES[2H]c1cc(-c2ccccc2)c(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c([2H])c1N(c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C48H31NOS/c1-4-15-32(16-5-1)36-30-29-35(49(34-19-8-3-9-20-34)44-27-14-23-39-38-21-10-11-28-45(38)50-46(39)44)31-43(36)42-26-13-25-41-40-24-12-22-37(47(40)51-48(41)42)33-17-6-2-7-18-33/h1-31H/i29D,31D
InChIKeyGVGSNGYSVODXLN-XZPPRXEOSA-N
MW671.86 g/mol
LogP14.42
Rot. Bonds6

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

N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 161332391) has the molecular formula C48H31NOS and a molecular weight of 671.86 g/mol. Its IUPAC name is N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID161332391
Molecular FormulaC48H31NOS
Molecular Weight671.86 g/mol
Exact Mass671.23
IUPAC NameN-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine
SMILES[2H]c1cc(-c2ccccc2)c(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c([2H])c1N(c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C48H31NOS/c1-4-15-32(16-5-1)36-30-29-35(49(34-19-8-3-9-20-34)44-27-14-23-39-38-21-10-11-28-45(38)50-46(39)44)31-43(36)42-26-13-25-41-40-24-12-22-37(47(40)51-48(41)42)33-17-6-2-7-18-33/h1-31H/i29D,31D
InChIKeyGVGSNGYSVODXLN-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-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-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-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 159263634
N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744369
N-dibenzofuran-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-4-amine
CID 164988843
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397414
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397285
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168771936

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine (CID 161332391) is N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine is [2H]c1cc(-c2ccccc2)c(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c([2H])c1N(c1ccccc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is GVGSNGYSVODXLN-XZPPRXEOSA-N. The full InChI is InChI=1S/C48H31NOS/c1-4-15-32(16-5-1)36-30-29-35(49(34-19-8-3-9-20-34)44-27-14-23-39-38-21-10-11-28-45(38)50-46(39)44)31-43(36)42-26-13-25-41-40-24-12-22-37(47(40)51-48(41)42)33-17-6-2-7-18-33/h1-31H/i29D,31D.
What are the key properties of N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine?
N-[2,6-dideuterio-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-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-4-phenyl-3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 161332391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).