N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine

C62H41NS — CID 167235763

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cc(-c5cc6ccccc6c6ccccc56)ccc4-c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C62H41NS/c1-4-17-43(18-5-1)51-37-33-46(39-57(51)45-21-8-3-9-22-45)42-31-35-49(36-32-42)63(59-29-16-28-56-55-27-14-15-30-61(55)64-62(56)59)60-41-48(34-38-52(60)44-19-6-2-7-20-44)58-40-47-23-10-11-24-50(47)53-25-12-13-26-54(53)58/h1-41H
InChIKeySCWXNYHMWASPPL-UHFFFAOYSA-N
MW832.08 g/mol
LogP18.17
Rot. Bonds8

About N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine

N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 167235763) has the molecular formula C62H41NS and a molecular weight of 832.08 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
PubChem CID167235763
Molecular FormulaC62H41NS
Molecular Weight832.08 g/mol
Exact Mass831.30
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cc(-c5cc6ccccc6c6ccccc56)ccc4-c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C62H41NS/c1-4-17-43(18-5-1)51-37-33-46(39-57(51)45-21-8-3-9-22-45)42-31-35-49(36-32-42)63(59-29-16-28-56-55-27-14-15-30-61(55)64-62(56)59)60-41-48(34-38-52(60)44-19-6-2-7-20-44)58-40-47-23-10-11-24-50(47)53-25-12-13-26-54(53)58/h1-41H
InChIKeySCWXNYHMWASPPL-UHFFFAOYSA-N
XLogP18.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.08
LogP ≤ 518.17
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-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-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-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167235379
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234194
N-(4-phenanthren-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789429
N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177080777
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-phenanthren-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine
CID 142614490
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501939
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
N-(4-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-4-amine
CID 169007439
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167235077

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine (CID 167235763) is N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4cc(-c5cc6ccccc6c6ccccc56)ccc4-c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is SCWXNYHMWASPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NS/c1-4-17-43(18-5-1)51-37-33-46(39-57(51)45-21-8-3-9-22-45)42-31-35-49(36-32-42)63(59-29-16-28-56-55-27-14-15-30-61(55)64-62(56)59)60-41-48(34-38-52(60)44-19-6-2-7-20-44)58-40-47-23-10-11-24-50(47)53-25-12-13-26-54(53)58/h1-41H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine?
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 832.08 g/mol, XLogP of 18.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 167235763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).