1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine

C59H37N3OS2 — CID 139525461

IUPAC1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3cccc(N(c5ccc(-c6cccnc6)cc5)c5ccc6oc7ccccc7c6c5)c34)cc2)cc1
InChIInChI=1S/C59H37N3OS2/c1-2-11-38(12-3-1)39-22-26-43(27-23-39)62(45-30-32-48-47-15-5-7-20-55(47)64-57(48)36-45)52-18-8-16-49-58-51(17-9-21-56(58)65-59(49)52)61(42-28-24-40(25-29-42)41-13-10-34-60-37-41)44-31-33-54-50(35-44)46-14-4-6-19-53(46)63-54/h1-37H
InChIKeyLVWSPCGXTWKMGX-UHFFFAOYSA-N
MW868.10 g/mol
LogP17.99
Rot. Bonds8

About 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine

1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine (PubChem CID 139525461) has the molecular formula C59H37N3OS2 and a molecular weight of 868.10 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine
PubChem CID139525461
Molecular FormulaC59H37N3OS2
Molecular Weight868.10 g/mol
Exact Mass867.24
IUPAC Name1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3cccc(N(c5ccc(-c6cccnc6)cc5)c5ccc6oc7ccccc7c6c5)c34)cc2)cc1
InChIInChI=1S/C59H37N3OS2/c1-2-11-38(12-3-1)39-22-26-43(27-23-39)62(45-30-32-48-47-15-5-7-20-55(47)64-57(48)36-45)52-18-8-16-49-58-51(17-9-21-56(58)65-59(49)52)61(42-28-24-40(25-29-42)41-13-10-34-60-37-41)44-31-33-54-50(35-44)46-14-4-6-19-53(46)63-54/h1-37H
InChIKeyLVWSPCGXTWKMGX-UHFFFAOYSA-N
XLogP17.99
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.10
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine?
The IUPAC name of 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine (CID 139525461) is 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine.
What is the SMILES notation for 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine?
The canonical SMILES for 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3cccc(N(c5ccc(-c6cccnc6)cc5)c5ccc6oc7ccccc7c6c5)c34)cc2)cc1.
What is the InChIKey of 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine?
The InChIKey is LVWSPCGXTWKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3OS2/c1-2-11-38(12-3-1)39-22-26-43(27-23-39)62(45-30-32-48-47-15-5-7-20-55(47)64-57(48)36-45)52-18-8-16-49-58-51(17-9-21-56(58)65-59(49)52)61(42-28-24-40(25-29-42)41-13-10-34-60-37-41)44-31-33-54-50(35-44)46-14-4-6-19-53(46)63-54/h1-37H.
What are the key properties of 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine?
1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine has a molecular weight of 868.10 g/mol, XLogP of 17.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-2-yl-6-N-dibenzothiophen-3-yl-6-N-(4-phenylphenyl)-1-N-(4-pyridin-3-ylphenyl)dibenzothiophene-1,6-diamine is sourced from PubChem (CID 139525461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).