N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine

C56H37NS — CID 169064800

IUPACN-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)cc1
InChIInChI=1S/C56H37NS/c1-4-17-38(18-5-1)41-23-14-25-43(35-41)57(44-26-15-24-42(36-44)46-30-16-31-51-49-28-12-13-32-53(49)58-56(46)51)45-33-34-48-47-27-10-11-29-50(47)54(39-19-6-2-7-20-39)55(52(48)37-45)40-21-8-3-9-22-40/h1-37H
InChIKeyAVZLZTLMTWZRBL-UHFFFAOYSA-N
MW755.99 g/mol
LogP16.50
Rot. Bonds7

About N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine

N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine (PubChem CID 169064800) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
PubChem CID169064800
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)cc1
InChIInChI=1S/C56H37NS/c1-4-17-38(18-5-1)41-23-14-25-43(35-41)57(44-26-15-24-42(36-44)46-30-16-31-51-49-28-12-13-32-53(49)58-56(46)51)45-33-34-48-47-27-10-11-29-50(47)54(39-19-6-2-7-20-39)55(52(48)37-45)40-21-8-3-9-22-40/h1-37H
InChIKeyAVZLZTLMTWZRBL-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-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063761
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
CID 169065383
N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 169062004
N-[4-[4-(10-dibenzothiophen-4-ylphenanthren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 142541696
N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine
CID 155304369
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline
CID 169063836
N-(3-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-1-amine
CID 169063967
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 169062575

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine (CID 169064800) is N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine?
The InChIKey is AVZLZTLMTWZRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-4-17-38(18-5-1)41-23-14-25-43(35-41)57(44-26-15-24-42(36-44)46-30-16-31-51-49-28-12-13-32-53(49)58-56(46)51)45-33-34-48-47-27-10-11-29-50(47)54(39-19-6-2-7-20-39)55(52(48)37-45)40-21-8-3-9-22-40/h1-37H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine?
N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-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-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 169064800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).