N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

C64H41NS — CID 170054530

IUPACN-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)c(-c5cccc6sc7ccccc7c56)c4)c4cccc5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C64H41NS/c1-2-16-42(17-3-1)49-38-39-50(54-25-9-8-24-53(49)54)44-32-34-46(35-33-44)65(61-29-14-20-43-18-4-7-22-51(43)61)47-36-37-56(59-40-45-19-5-6-21-48(45)52-23-10-11-26-55(52)59)60(41-47)57-28-15-31-63-64(57)58-27-12-13-30-62(58)66-63/h1-41H
InChIKeyTUEAPZLSACZKHP-UHFFFAOYSA-N
MW856.11 g/mol
LogP18.81
Rot. Bonds7

About N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (PubChem CID 170054530) has the molecular formula C64H41NS and a molecular weight of 856.11 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
PubChem CID170054530
Molecular FormulaC64H41NS
Molecular Weight856.11 g/mol
Exact Mass855.30
IUPAC NameN-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)c(-c5cccc6sc7ccccc7c56)c4)c4cccc5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C64H41NS/c1-2-16-42(17-3-1)49-38-39-50(54-25-9-8-24-53(49)54)44-32-34-46(35-33-44)65(61-29-14-20-43-18-4-7-22-51(43)61)47-36-37-56(59-40-45-19-5-6-21-48(45)52-23-10-11-26-55(52)59)60(41-47)57-28-15-31-63-64(57)58-27-12-13-30-62(58)66-63/h1-41H
InChIKeyTUEAPZLSACZKHP-UHFFFAOYSA-N
XLogP18.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.11
LogP ≤ 518.81
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-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-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-(5-phenanthren-9-ylnaphthalen-1-yl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine
CID 169007795
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-chrysen-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170137727
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
2-dibenzothiophen-2-yl-3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274441
4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine
CID 177116926
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-8-amine
CID 169007328
N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 157077380
3-N-dibenzothiophen-2-yl-1-N-naphthalen-1-yl-1-N-(4-naphthalen-1-ylphenyl)-3-N-[8-(9-phenylphenanthren-2-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 153243030

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (CID 170054530) is N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)c(-c5cccc6sc7ccccc7c56)c4)c4cccc5ccccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The InChIKey is TUEAPZLSACZKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NS/c1-2-16-42(17-3-1)49-38-39-50(54-25-9-8-24-53(49)54)44-32-34-46(35-33-44)65(61-29-14-20-43-18-4-7-22-51(43)61)47-36-37-56(59-40-45-19-5-6-21-48(45)52-23-10-11-26-55(52)59)60(41-47)57-28-15-31-63-64(57)58-27-12-13-30-62(58)66-63/h1-41H.
What are the key properties of N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine has a molecular weight of 856.11 g/mol, XLogP of 18.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-1-yl-4-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170054530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).