N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine

C42H27NOS — CID 163662266

IUPACN-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-2-12-28(13-3-1)31-14-4-5-15-32(31)29-24-26-30(27-25-29)43(37-20-10-18-35-33-16-6-8-22-39(33)44-41(35)37)38-21-11-19-36-34-17-7-9-23-40(34)45-42(36)38/h1-27H
InChIKeyZPRZIYBTCPJARR-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

About N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine

N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 163662266) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID163662266
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-2-12-28(13-3-1)31-14-4-5-15-32(31)29-24-26-30(27-25-29)43(37-20-10-18-35-33-16-6-8-22-39(33)44-41(35)37)38-21-11-19-36-34-17-7-9-23-40(34)45-42(36)38/h1-27H
InChIKeyZPRZIYBTCPJARR-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-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-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,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
N-(4-dibenzofuran-1-ylphenyl)-N-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-amine
CID 167397291
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-dibenzothiophen-4-yl-N-(4-dibenzothiophen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396325
N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502800
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396991
N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 164790736

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 163662266) is N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is ZPRZIYBTCPJARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-2-12-28(13-3-1)31-14-4-5-15-32(31)29-24-26-30(27-25-29)43(37-20-10-18-35-33-16-6-8-22-39(33)44-41(35)37)38-21-11-19-36-34-17-7-9-23-40(34)45-42(36)38/h1-27H.
What are the key properties of N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-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-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 163662266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).