N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine

C48H31NS — CID 167397284

IUPACN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2sc2cccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cc5ccccc5c5ccccc45)c23)cc1
InChIInChI=1S/C48H31NS/c1-2-14-33(15-3-1)40-26-12-27-43-47-44(28-13-29-46(47)50-48(40)43)49(45-31-35-17-5-7-22-39(35)41-23-8-9-24-42(41)45)36-20-10-19-34(30-36)38-25-11-18-32-16-4-6-21-37(32)38/h1-31H
InChIKeyMINPEWWKGAGZJG-UHFFFAOYSA-N
MW653.85 g/mol
LogP14.32
Rot. Bonds5

About N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine

N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine (PubChem CID 167397284) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine
PubChem CID167397284
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2sc2cccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cc5ccccc5c5ccccc45)c23)cc1
InChIInChI=1S/C48H31NS/c1-2-14-33(15-3-1)40-26-12-27-43-47-44(28-13-29-46(47)50-48(40)43)49(45-31-35-17-5-7-22-39(35)41-23-8-9-24-42(41)45)36-20-10-19-34(30-36)38-25-11-18-32-16-4-6-21-37(32)38/h1-31H
InChIKeyMINPEWWKGAGZJG-UHFFFAOYSA-N
XLogP14.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-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-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167397344
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
6-N,12-N-bis(3-dibenzothiophen-4-ylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine
CID 58462056
N,N-bis(3-dibenzothiophen-4-ylphenyl)phenanthren-9-amine;N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-(4-phenylphenyl)aniline;2-dibenzothiophen-4-yl-N-(2-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159307447
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325385
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 167324318
4-N-(3-dibenzothiophen-4-ylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 121323913
N-[4-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-1-amine;N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-1-amine;N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-1-amine;N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-1-amine
CID 163621993
N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 158559145
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305049

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine (CID 167397284) is N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine is c1ccc(-c2cccc3c2sc2cccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cc5ccccc5c5ccccc45)c23)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine?
The InChIKey is MINPEWWKGAGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS/c1-2-14-33(15-3-1)40-26-12-27-43-47-44(28-13-29-46(47)50-48(40)43)49(45-31-35-17-5-7-22-39(35)41-23-8-9-24-42(41)45)36-20-10-19-34(30-36)38-25-11-18-32-16-4-6-21-37(32)38/h1-31H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine?
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine has a molecular weight of 653.85 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 167397284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).