N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

C162H103N3O3S3 — CID 158454891

IUPACN-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5cccc6c5sc5ccccc56)c4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H35NOS.C54H35NOS.C52H33NOS/c1-2-13-36(14-3-1)39-31-40(45-21-12-22-51-50-20-9-11-24-55(50)59-56(45)51)33-43(32-39)57(42-29-30-49-48-19-8-10-23-53(48)58-54(49)35-42)41-27-25-37(26-28-41)52-34-38-15-4-5-16-44(38)46-17-6-7-18-47(46)52;1-3-12-36(13-4-1)38-22-24-39(25-23-38)40-26-28-43(29-27-40)55(44-30-31-48-47-16-7-9-20-51(47)56-52(48)35-44)45-33-41(37-14-5-2-6-15-37)32-42(34-45)46-18-11-19-50-49-17-8-10-21-53(49)57-54(46)50;1-2-11-34(12-3-1)39-30-40(44-17-10-18-48-47-16-7-9-20-51(47)55-52(44)48)32-43(31-39)53(42-27-28-46-45-15-6-8-19-49(45)54-50(46)33-42)41-25-23-36(24-26-41)38-22-21-35-13-4-5-14-37(35)29-38/h1-35H;1-35H;1-33H
InChIKeyHELIGLYELUCONE-UHFFFAOYSA-N
MW2235.82 g/mol
LogP48.40
Rot. Bonds19

About N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 158454891) has the molecular formula C162H103N3O3S3 and a molecular weight of 2235.82 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID158454891
Molecular FormulaC162H103N3O3S3
Molecular Weight2235.82 g/mol
Exact Mass2233.72
IUPAC NameN-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5cccc6c5sc5ccccc56)c4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H35NOS.C54H35NOS.C52H33NOS/c1-2-13-36(14-3-1)39-31-40(45-21-12-22-51-50-20-9-11-24-55(50)59-56(45)51)33-43(32-39)57(42-29-30-49-48-19-8-10-23-53(48)58-54(49)35-42)41-27-25-37(26-28-41)52-34-38-15-4-5-16-44(38)46-17-6-7-18-47(46)52;1-3-12-36(13-4-1)38-22-24-39(25-23-38)40-26-28-43(29-27-40)55(44-30-31-48-47-16-7-9-20-51(47)56-52(48)35-44)45-33-41(37-14-5-2-6-15-37)32-42(34-45)46-18-11-19-50-49-17-8-10-21-53(49)57-54(46)50;1-2-11-34(12-3-1)39-30-40(44-17-10-18-48-47-16-7-9-20-51(47)55-52(44)48)32-43(31-39)53(42-27-28-46-45-15-6-8-19-49(45)54-50(46)33-42)41-25-23-36(24-26-41)38-22-21-35-13-4-5-14-37(35)29-38/h1-35H;1-35H;1-33H
InChIKeyHELIGLYELUCONE-UHFFFAOYSA-N
XLogP48.40
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002235.82
LogP ≤ 548.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158542186
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168766755
N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161239323
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 168766676
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 171435473
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 165083837

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 158454891) is N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5cccc6c5sc5ccccc56)c4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is HELIGLYELUCONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS.C54H35NOS.C52H33NOS/c1-2-13-36(14-3-1)39-31-40(45-21-12-22-51-50-20-9-11-24-55(50)59-56(45)51)33-43(32-39)57(42-29-30-49-48-19-8-10-23-53(48)58-54(49)35-42)41-27-25-37(26-28-41)52-34-38-15-4-5-16-44(38)46-17-6-7-18-47(46)52;1-3-12-36(13-4-1)38-22-24-39(25-23-38)40-26-28-43(29-27-40)55(44-30-31-48-47-16-7-9-20-51(47)56-52(48)35-44)45-33-41(37-14-5-2-6-15-37)32-42(34-45)46-18-11-19-50-49-17-8-10-21-53(49)57-54(46)50;1-2-11-34(12-3-1)39-30-40(44-17-10-18-48-47-16-7-9-20-51(47)55-52(44)48)32-43(31-39)53(42-27-28-46-45-15-6-8-19-49(45)54-50(46)33-42)41-25-23-36(24-26-41)38-22-21-35-13-4-5-14-37(35)29-38/h1-35H;1-35H;1-33H.
What are the key properties of N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 2235.82 g/mol, XLogP of 48.40, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 158454891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).