6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine

C59H38N2OS — CID 121383350

IUPAC6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)nc3)cc2)cc1
InChIInChI=1S/C59H38N2OS/c1-3-11-39(12-4-1)41-19-25-48(26-20-41)61(49-27-21-42(22-28-49)40-13-5-2-6-14-40)50-29-30-55(60-38-50)47-34-45(43-23-31-57-53(36-43)51-15-7-9-17-56(51)62-57)33-46(35-47)44-24-32-59-54(37-44)52-16-8-10-18-58(52)63-59/h1-38H
InChIKeyMSIPNPQAMQOJDR-UHFFFAOYSA-N
MW823.03 g/mol
LogP17.15
Rot. Bonds8

About 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine

6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine (PubChem CID 121383350) has the molecular formula C59H38N2OS and a molecular weight of 823.03 g/mol. Its IUPAC name is 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine
PubChem CID121383350
Molecular FormulaC59H38N2OS
Molecular Weight823.03 g/mol
Exact Mass822.27
IUPAC Name6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)nc3)cc2)cc1
InChIInChI=1S/C59H38N2OS/c1-3-11-39(12-4-1)41-19-25-48(26-20-41)61(49-27-21-42(22-28-49)40-13-5-2-6-14-40)50-29-30-55(60-38-50)47-34-45(43-23-31-57-53(36-43)51-15-7-9-17-56(51)62-57)33-46(35-47)44-24-32-59-54(37-44)52-16-8-10-18-58(52)63-59/h1-38H
InChIKeyMSIPNPQAMQOJDR-UHFFFAOYSA-N
XLogP17.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.03
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine 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 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine (CID 121383350) is 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)nc3)cc2)cc1.
What is the InChIKey of 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine?
The InChIKey is MSIPNPQAMQOJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2OS/c1-3-11-39(12-4-1)41-19-25-48(26-20-41)61(49-27-21-42(22-28-49)40-13-5-2-6-14-40)50-29-30-55(60-38-50)47-34-45(43-23-31-57-53(36-43)51-15-7-9-17-56(51)62-57)33-46(35-47)44-24-32-59-54(37-44)52-16-8-10-18-58(52)63-59/h1-38H.
What are the key properties of 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine?
6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine has a molecular weight of 823.03 g/mol, XLogP of 17.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 121383350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).