N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

C31H23NS — CID 156521449

IUPACN-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C31H23NS/c1-22-14-18-25(19-15-22)32(26-20-16-24(17-21-26)23-8-3-2-4-9-23)28-11-7-13-30-31(28)27-10-5-6-12-29(27)33-30/h2-21H,1H3
InChIKeyVDFPJGXNBKPSQE-UHFFFAOYSA-N
MW441.60 g/mol
LogP9.50
Rot. Bonds4

About N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 156521449) has the molecular formula C31H23NS and a molecular weight of 441.60 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID156521449
Molecular FormulaC31H23NS
Molecular Weight441.60 g/mol
Exact Mass441.16
IUPAC NameN-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C31H23NS/c1-22-14-18-25(19-15-22)32(26-20-16-24(17-21-26)23-8-3-2-4-9-23)28-11-7-13-30-31(28)27-10-5-6-12-29(27)33-30/h2-21H,1H3
InChIKeyVDFPJGXNBKPSQE-UHFFFAOYSA-N
XLogP9.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-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-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-phenyl-N-(4-phenylphenyl)-19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-amine
CID 169060583
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167183232
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-chrysen-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170137727
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine
CID 163699330

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 156521449) is N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is VDFPJGXNBKPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NS/c1-22-14-18-25(19-15-22)32(26-20-16-24(17-21-26)23-8-3-2-4-9-23)28-11-7-13-30-31(28)27-10-5-6-12-29(27)33-30/h2-21H,1H3.
What are the key properties of N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 441.60 g/mol, XLogP of 9.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 156521449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).