N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine

C48H33NS — CID 167007574

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine
SMILESC1=Cc2c(sc3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)CC1
InChIInChI=1S/C48H33NS/c1-2-11-35-30-36(21-20-32(35)10-1)33-22-26-38(27-23-33)49(46-18-9-17-44-43-16-7-8-19-47(43)50-48(44)46)39-28-24-34(25-29-39)45-31-37-12-3-4-13-40(37)41-14-5-6-15-42(41)45/h1-7,9-18,20-31H,8,19H2
InChIKeyMRNSJOQDJIFIFG-UHFFFAOYSA-N
MW655.87 g/mol
LogP14.12
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine

N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine (PubChem CID 167007574) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine
PubChem CID167007574
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine
SMILESC1=Cc2c(sc3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)CC1
InChIInChI=1S/C48H33NS/c1-2-11-35-30-36(21-20-32(35)10-1)33-22-26-38(27-23-33)49(46-18-9-17-44-43-16-7-8-19-47(43)50-48(44)46)39-28-24-34(25-29-39)45-31-37-12-3-4-13-40(37)41-14-5-6-15-42(41)45/h1-7,9-18,20-31H,8,19H2
InChIKeyMRNSJOQDJIFIFG-UHFFFAOYSA-N
XLogP14.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.87
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-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-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 174180887
6-(9-naphthalen-2-ylchrysen-3-yl)-3,4-dihydrodibenzothiophene
CID 123548738
N-(4-phenanthren-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine
CID 142614490
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
CID 169007438
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167235379
N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614464
N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158542186
N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 161045899
N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167233880

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine (CID 167007574) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine is C1=Cc2c(sc3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)CC1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine?
The InChIKey is MRNSJOQDJIFIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-2-11-35-30-36(21-20-32(35)10-1)33-22-26-38(27-23-33)49(46-18-9-17-44-43-16-7-8-19-47(43)50-48(44)46)39-28-24-34(25-29-39)45-31-37-12-3-4-13-40(37)41-14-5-6-15-42(41)45/h1-7,9-18,20-31H,8,19H2.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine has a molecular weight of 655.87 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine is sourced from PubChem (CID 167007574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).