N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine

C212H138N4O4S4Si — CID 160756023

IUPACN-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2cc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2cc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H41NOSSi.2C52H33NOS.C48H31NOS/c1-5-19-42(20-6-1)55-41-44(37-40-49(55)53-30-17-31-54-51-28-14-16-34-58(51)63-60(53)54)61(56-32-18-29-52-50-27-13-15-33-57(50)62-59(52)56)43-35-38-48(39-36-43)64(45-21-7-2-8-22-45,46-23-9-3-10-24-46)47-25-11-4-12-26-47;1-2-14-35(15-3-1)47-33-38(30-31-41(47)45-25-12-26-46-43-22-7-9-29-50(43)55-52(45)46)53(48-27-13-24-44-42-21-6-8-28-49(42)54-51(44)48)37-19-10-18-36(32-37)40-23-11-17-34-16-4-5-20-39(34)40;1-2-13-34(14-3-1)35-27-29-37(30-28-35)53(48-24-12-21-44-42-18-6-8-25-49(42)54-51(44)48)38-31-32-41(47(33-38)40-20-10-16-36-15-4-5-17-39(36)40)45-22-11-23-46-43-19-7-9-26-50(43)55-52(45)46;1-3-13-32(14-4-1)33-25-27-35(28-26-33)49(44-22-12-19-40-38-17-7-9-23-45(38)50-47(40)44)36-29-30-37(43(31-36)34-15-5-2-6-16-34)41-20-11-21-42-39-18-8-10-24-46(39)51-48(41)42/h1-41H;2*1-33H;1-31H/i;;;1D,3D,4D,13D,14D,25D,26D,27D,28D
InChIKeyRXLFNDCZECZZTN-ZJQCKUFLSA-N
MW2970.87 g/mol
LogP59.72
Rot. Bonds27

About N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine

N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine (PubChem CID 160756023) has the molecular formula C212H138N4O4S4Si and a molecular weight of 2970.87 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
PubChem CID160756023
Molecular FormulaC212H138N4O4S4Si
Molecular Weight2970.87 g/mol
Exact Mass2967.99
IUPAC NameN-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2cc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2cc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H41NOSSi.2C52H33NOS.C48H31NOS/c1-5-19-42(20-6-1)55-41-44(37-40-49(55)53-30-17-31-54-51-28-14-16-34-58(51)63-60(53)54)61(56-32-18-29-52-50-27-13-15-33-57(50)62-59(52)56)43-35-38-48(39-36-43)64(45-21-7-2-8-22-45,46-23-9-3-10-24-46)47-25-11-4-12-26-47;1-2-14-35(15-3-1)47-33-38(30-31-41(47)45-25-12-26-46-43-22-7-9-29-50(43)55-52(45)46)53(48-27-13-24-44-42-21-6-8-28-49(42)54-51(44)48)37-19-10-18-36(32-37)40-23-11-17-34-16-4-5-20-39(34)40;1-2-13-34(14-3-1)35-27-29-37(30-28-35)53(48-24-12-21-44-42-18-6-8-25-49(42)54-51(44)48)38-31-32-41(47(33-38)40-20-10-16-36-15-4-5-17-39(36)40)45-22-11-23-46-43-19-7-9-26-50(43)55-52(45)46;1-3-13-32(14-4-1)33-25-27-35(28-26-33)49(44-22-12-19-40-38-17-7-9-23-45(38)50-47(40)44)36-29-30-37(43(31-36)34-15-5-2-6-16-34)41-20-11-21-42-39-18-8-10-24-46(39)51-48(41)42/h1-41H;2*1-33H;1-31H/i;;;1D,3D,4D,13D,14D,25D,26D,27D,28D
InChIKeyRXLFNDCZECZZTN-ZJQCKUFLSA-N
XLogP59.72
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002970.87
LogP ≤ 559.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine (CID 160756023) is N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2cc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2cc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)c(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine?
The InChIKey is RXLFNDCZECZZTN-ZJQCKUFLSA-N. The full InChI is InChI=1S/C60H41NOSSi.2C52H33NOS.C48H31NOS/c1-5-19-42(20-6-1)55-41-44(37-40-49(55)53-30-17-31-54-51-28-14-16-34-58(51)63-60(53)54)61(56-32-18-29-52-50-27-13-15-33-57(50)62-59(52)56)43-35-38-48(39-36-43)64(45-21-7-2-8-22-45,46-23-9-3-10-24-46)47-25-11-4-12-26-47;1-2-14-35(15-3-1)47-33-38(30-31-41(47)45-25-12-26-46-43-22-7-9-29-50(43)55-52(45)46)53(48-27-13-24-44-42-21-6-8-28-49(42)54-51(44)48)37-19-10-18-36(32-37)40-23-11-17-34-16-4-5-20-39(34)40;1-2-13-34(14-3-1)35-27-29-37(30-28-35)53(48-24-12-21-44-42-18-6-8-25-49(42)54-51(44)48)38-31-32-41(47(33-38)40-20-10-16-36-15-4-5-17-39(36)40)45-22-11-23-46-43-19-7-9-26-50(43)55-52(45)46;1-3-13-32(14-4-1)33-25-27-35(28-26-33)49(44-22-12-19-40-38-17-7-9-23-45(38)50-47(40)44)36-29-30-37(43(31-36)34-15-5-2-6-16-34)41-20-11-21-42-39-18-8-10-24-46(39)51-48(41)42/h1-41H;2*1-33H;1-31H/i;;;1D,3D,4D,13D,14D,25D,26D,27D,28D.
What are the key properties of N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine?
N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine has a molecular weight of 2970.87 g/mol, XLogP of 59.72, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 160756023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).