N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine

C56H37NS — CID 155305049

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37NS/c1-3-16-38(17-4-1)39-30-32-41(33-31-39)45-35-34-43(37-52(45)40-18-5-2-6-19-40)57(54-36-42-20-7-8-21-44(42)46-22-9-10-23-47(46)54)53-28-13-11-24-48(53)50-26-15-27-51-49-25-12-14-29-55(49)58-56(50)51/h1-37H
InChIKeyWEDQMAAEZLIEAP-UHFFFAOYSA-N
MW755.99 g/mol
LogP16.50
Rot. Bonds7

About N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine

N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155305049) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID155305049
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37NS/c1-3-16-38(17-4-1)39-30-32-41(33-31-39)45-35-34-43(37-52(45)40-18-5-2-6-19-40)57(54-36-42-20-7-8-21-44(42)46-22-9-10-23-47(46)54)53-28-13-11-24-48(53)50-26-15-27-51-49-25-12-14-29-55(49)58-56(50)51/h1-37H
InChIKeyWEDQMAAEZLIEAP-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305678
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-(2-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501939
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501645
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177080685
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine
CID 155304328
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine (CID 155305049) is N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is WEDQMAAEZLIEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-3-16-38(17-4-1)39-30-32-41(33-31-39)45-35-34-43(37-52(45)40-18-5-2-6-19-40)57(54-36-42-20-7-8-21-44(42)46-22-9-10-23-47(46)54)53-28-13-11-24-48(53)50-26-15-27-51-49-25-12-14-29-55(49)58-56(50)51/h1-37H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 755.99 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155305049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).