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

C158H101N3S6 — CID 159307447

IUPACN,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
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc6c5sc5ccccc56)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc2)cc1
InChIInChI=1S/2C54H35NS2.C50H31NS2/c1-2-14-36(15-3-1)37-28-30-38(31-29-37)39-32-34-40(35-33-39)55(49-24-8-4-16-41(49)45-20-12-22-47-43-18-6-10-26-51(43)56-53(45)47)50-25-9-5-17-42(50)46-21-13-23-48-44-19-7-11-27-52(44)57-54(46)48;1-2-13-36(14-3-1)37-29-31-38(32-30-37)39-15-8-18-42(33-39)55(43-19-9-16-40(34-43)45-23-11-25-49-47-21-4-6-27-51(47)56-53(45)49)44-20-10-17-41(35-44)46-24-12-26-50-48-22-5-7-28-52(48)57-54(46)50;1-2-18-37-34(13-1)31-46(41-20-4-3-19-40(37)41)51(35-16-9-14-32(29-35)38-23-11-25-44-42-21-5-7-27-47(42)52-49(38)44)36-17-10-15-33(30-36)39-24-12-26-45-43-22-6-8-28-48(43)53-50(39)45/h2*1-35H;1-31H
InChIKeyLCCDSYQHJYEYEF-UHFFFAOYSA-N
MW2233.97 g/mol
LogP48.65
Rot. Bonds19

About 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

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 (PubChem CID 159307447) has the molecular formula C158H101N3S6 and a molecular weight of 2233.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID159307447
Molecular FormulaC158H101N3S6
Molecular Weight2233.97 g/mol
Exact Mass2231.63
IUPAC NameN,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
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc6c5sc5ccccc56)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc2)cc1
InChIInChI=1S/2C54H35NS2.C50H31NS2/c1-2-14-36(15-3-1)37-28-30-38(31-29-37)39-32-34-40(35-33-39)55(49-24-8-4-16-41(49)45-20-12-22-47-43-18-6-10-26-51(43)56-53(45)47)50-25-9-5-17-42(50)46-21-13-23-48-44-19-7-11-27-52(44)57-54(46)48;1-2-13-36(14-3-1)37-29-31-38(32-30-37)39-15-8-18-42(33-39)55(43-19-9-16-40(34-43)45-23-11-25-49-47-21-4-6-27-51(47)56-53(45)49)44-20-10-17-41(35-44)46-24-12-26-50-48-22-5-7-28-52(48)57-54(46)50;1-2-18-37-34(13-1)31-46(41-20-4-3-19-40(37)41)51(35-16-9-14-32(29-35)38-23-11-25-44-42-21-5-7-27-47(42)52-49(38)44)36-17-10-15-33(30-36)39-24-12-26-45-43-22-6-8-28-48(43)53-50(39)45/h2*1-35H;1-31H
InChIKeyLCCDSYQHJYEYEF-UHFFFAOYSA-N
XLogP48.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002233.97
LogP ≤ 548.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305678
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305049
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(4-phenylphenyl)aniline
CID 158744842
4-[4-[2-(N-phenanthren-9-ylanilino)dibenzothiophen-4-yl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 146638922
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
4-N-(3-dibenzothiophen-4-ylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 121323913
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2,4-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 157248341
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
N-dibenzothiophen-4-yl-N-[4-[4-[di(dibenzothiophen-4-yl)amino]phenyl]phenyl]dibenzothiophen-4-amine;N-[4-[4-[dibenzothiophen-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-2-amine;N-[4-[4-[dibenzothiophen-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-4-amine;N-[4-[4-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzothiophen-2-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158061684
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501939

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2cccc3c2sc2ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc6c5sc5ccccc56)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is LCCDSYQHJYEYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H35NS2.C50H31NS2/c1-2-14-36(15-3-1)37-28-30-38(31-29-37)39-32-34-40(35-33-39)55(49-24-8-4-16-41(49)45-20-12-22-47-43-18-6-10-26-51(43)56-53(45)47)50-25-9-5-17-42(50)46-21-13-23-48-44-19-7-11-27-52(44)57-54(46)48;1-2-13-36(14-3-1)37-29-31-38(32-30-37)39-15-8-18-42(33-39)55(43-19-9-16-40(34-43)45-23-11-25-49-47-21-4-6-27-51(47)56-53(45)49)44-20-10-17-41(35-44)46-24-12-26-50-48-22-5-7-28-52(48)57-54(46)50;1-2-18-37-34(13-1)31-46(41-20-4-3-19-40(37)41)51(35-16-9-14-32(29-35)38-23-11-25-44-42-21-5-7-27-47(42)52-49(38)44)36-17-10-15-33(30-36)39-24-12-26-45-43-22-6-8-28-48(43)53-50(39)45/h2*1-35H;1-31H.
What are the key properties of 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?
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 has a molecular weight of 2233.97 g/mol, XLogP of 48.65, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159307447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).