8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine

C53H34N2OS — CID 90076153

IUPAC8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)n6)cc5c4c3)cc2)cc1
InChIInChI=1S/C53H34N2OS/c1-3-10-35(11-4-1)37-18-24-41(25-19-37)55(42-26-20-38(21-27-42)36-12-5-2-6-13-36)43-28-31-53-47(34-43)46-33-40(23-30-52(46)57-53)49-16-9-15-48(54-49)39-22-29-51-45(32-39)44-14-7-8-17-50(44)56-51/h1-34H
InChIKeyQKJJLWBKBCJLCZ-UHFFFAOYSA-N
MW746.94 g/mol
LogP15.49
Rot. Bonds7

About 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine

8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 90076153) has the molecular formula C53H34N2OS and a molecular weight of 746.94 g/mol. Its IUPAC name is 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID90076153
Molecular FormulaC53H34N2OS
Molecular Weight746.94 g/mol
Exact Mass746.24
IUPAC Name8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)n6)cc5c4c3)cc2)cc1
InChIInChI=1S/C53H34N2OS/c1-3-10-35(11-4-1)37-18-24-41(25-19-37)55(42-26-20-38(21-27-42)36-12-5-2-6-13-36)43-28-31-53-47(34-43)46-33-40(23-30-52(46)57-53)49-16-9-15-48(54-49)39-22-29-51-45(32-39)44-14-7-8-17-50(44)56-51/h1-34H
InChIKeyQKJJLWBKBCJLCZ-UHFFFAOYSA-N
XLogP15.49
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.94
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine (CID 90076153) is 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6cccc(-c7ccc8oc9ccccc9c8c7)n6)cc5c4c3)cc2)cc1.
What is the InChIKey of 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is QKJJLWBKBCJLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2OS/c1-3-10-35(11-4-1)37-18-24-41(25-19-37)55(42-26-20-38(21-27-42)36-12-5-2-6-13-36)43-28-31-53-47(34-43)46-33-40(23-30-52(46)57-53)49-16-9-15-48(54-49)39-22-29-51-45(32-39)44-14-7-8-17-50(44)56-51/h1-34H.
What are the key properties of 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 746.94 g/mol, XLogP of 15.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-dibenzofuran-2-yl-2-pyridinyl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 90076153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).