N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine

C186H115N3O4S2 — CID 157196864

IUPACN,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc12
InChIInChI=1S/C66H41NS2.2C60H37NO2/c1-2-11-55-53(9-1)54-10-3-4-12-56(54)60-41-52(35-36-57(55)60)67(50-31-25-44(26-32-50)42-17-21-46(22-18-42)48-29-37-65-61(39-48)58-13-5-7-15-63(58)68-65)51-33-27-45(28-34-51)43-19-23-47(24-20-43)49-30-38-66-62(40-49)59-14-6-8-16-64(59)69-66;1-2-13-49-47(11-1)48-12-3-4-14-50(48)56-37-44(35-36-51(49)56)61(43-33-29-41(30-34-43)46-18-10-20-55-53-16-6-8-22-58(53)63-60(46)55)42-31-27-39(28-32-42)38-23-25-40(26-24-38)45-17-9-19-54-52-15-5-7-21-57(52)62-59(45)54;1-2-11-49-47(9-1)48-10-3-4-12-50(48)54-37-46(31-32-51(49)54)61(45-29-23-41(24-30-45)43-26-34-60-56(36-43)53-14-6-8-16-58(53)63-60)44-27-21-39(22-28-44)38-17-19-40(20-18-38)42-25-33-59-55(35-42)52-13-5-7-15-57(52)62-59/h1-41H;2*1-37H
InChIKeyAQIQJEWRROFFBR-UHFFFAOYSA-N
MW2520.12 g/mol
LogP54.85
Rot. Bonds19

About N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine

N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine (PubChem CID 157196864) has the molecular formula C186H115N3O4S2 and a molecular weight of 2520.12 g/mol. Its IUPAC name is N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
PubChem CID157196864
Molecular FormulaC186H115N3O4S2
Molecular Weight2520.12 g/mol
Exact Mass2517.83
IUPAC NameN,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc12
InChIInChI=1S/C66H41NS2.2C60H37NO2/c1-2-11-55-53(9-1)54-10-3-4-12-56(54)60-41-52(35-36-57(55)60)67(50-31-25-44(26-32-50)42-17-21-46(22-18-42)48-29-37-65-61(39-48)58-13-5-7-15-63(58)68-65)51-33-27-45(28-34-51)43-19-23-47(24-20-43)49-30-38-66-62(40-49)59-14-6-8-16-64(59)69-66;1-2-13-49-47(11-1)48-12-3-4-14-50(48)56-37-44(35-36-51(49)56)61(43-33-29-41(30-34-43)46-18-10-20-55-53-16-6-8-22-58(53)63-60(46)55)42-31-27-39(28-32-42)38-23-25-40(26-24-38)45-17-9-19-54-52-15-5-7-21-57(52)62-59(45)54;1-2-11-49-47(9-1)48-10-3-4-12-50(48)54-37-46(31-32-51(49)54)61(45-29-23-41(24-30-45)43-26-34-60-56(36-43)53-14-6-8-16-58(53)63-60)44-27-21-39(22-28-44)38-17-19-40(20-18-38)42-25-33-59-55(35-42)52-13-5-7-15-57(52)62-59/h1-41H;2*1-37H
InChIKeyAQIQJEWRROFFBR-UHFFFAOYSA-N
XLogP54.85
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002520.12
LogP ≤ 554.85
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[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428236
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859
N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;8-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160881655
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-di(dibenzofuran-3-yl)dibenzofuran-3-amine;N,N-di(dibenzothiophen-3-yl)dibenzothiophen-3-amine;N,N-di(dibenzothiophen-4-yl)dibenzothiophen-4-amine
CID 158783151
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine?
The IUPAC name of N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine (CID 157196864) is N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine.
What is the SMILES notation for N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine?
The canonical SMILES for N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine is c1ccc2c(c1)oc1c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc12.
What is the InChIKey of N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine?
The InChIKey is AQIQJEWRROFFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NS2.2C60H37NO2/c1-2-11-55-53(9-1)54-10-3-4-12-56(54)60-41-52(35-36-57(55)60)67(50-31-25-44(26-32-50)42-17-21-46(22-18-42)48-29-37-65-61(39-48)58-13-5-7-15-63(58)68-65)51-33-27-45(28-34-51)43-19-23-47(24-20-43)49-30-38-66-62(40-49)59-14-6-8-16-64(59)69-66;1-2-13-49-47(11-1)48-12-3-4-14-50(48)56-37-44(35-36-51(49)56)61(43-33-29-41(30-34-43)46-18-10-20-55-53-16-6-8-22-58(53)63-60(46)55)42-31-27-39(28-32-42)38-23-25-40(26-24-38)45-17-9-19-54-52-15-5-7-21-57(52)62-59(45)54;1-2-11-49-47(9-1)48-10-3-4-12-50(48)54-37-46(31-32-51(49)54)61(45-29-23-41(24-30-45)43-26-34-60-56(36-43)53-14-6-8-16-58(53)63-60)44-27-21-39(22-28-44)38-17-19-40(20-18-38)42-25-33-59-55(35-42)52-13-5-7-15-57(52)62-59/h1-41H;2*1-37H.
What are the key properties of N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine?
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine has a molecular weight of 2520.12 g/mol, XLogP of 54.85, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 157196864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).