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

C56H37NS — CID 155304369

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3c(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C56H37NS/c1-3-17-38(18-4-1)40-21-13-24-43(35-40)54-50-30-9-7-27-47(50)48-28-8-10-31-51(48)55(54)57(44-25-14-22-41(36-44)39-19-5-2-6-20-39)45-26-15-23-42(37-45)46-32-16-33-52-49-29-11-12-34-53(49)58-56(46)52/h1-37H
InChIKeyPSPYFHLZMBSDCU-UHFFFAOYSA-N
MW755.99 g/mol
LogP16.50
Rot. Bonds7

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

N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine (PubChem CID 155304369) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine
PubChem CID155304369
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3c(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C56H37NS/c1-3-17-38(18-4-1)40-21-13-24-43(35-40)54-50-30-9-7-27-47(50)48-28-8-10-31-51(48)55(54)57(44-25-14-22-41(36-44)39-19-5-2-6-20-39)45-26-15-23-42(37-45)46-32-16-33-52-49-29-11-12-34-53(49)58-56(46)52/h1-37H
InChIKeyPSPYFHLZMBSDCU-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)-N-[4-(2,5-diphenylphenyl)phenyl]-10-(3-phenylphenyl)phenanthren-9-amine
CID 155303762
N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169064800
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
CID 169065383
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine
CID 155304457
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
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-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine (CID 155304369) is N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine is c1ccc(-c2cccc(-c3c(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine?
The InChIKey is PSPYFHLZMBSDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-3-17-38(18-4-1)40-21-13-24-43(35-40)54-50-30-9-7-27-47(50)48-28-8-10-31-51(48)55(54)57(44-25-14-22-41(36-44)39-19-5-2-6-20-39)45-26-15-23-42(37-45)46-32-16-33-52-49-29-11-12-34-53(49)58-56(46)52/h1-37H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)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-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155304369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).