3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole

C51H30N4S2 — CID 58059079

IUPAC3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc7c6sc6c(-c8cccc9c8sc8ccccc89)cccc67)n5)n4)ccc32)nc1
InChIInChI=1S/C51H30N4S2/c1-3-24-45-32(12-1)40-30-31(27-28-46(40)55(45)48-26-5-6-29-52-48)41-20-10-22-43(53-41)44-23-11-21-42(54-44)39-19-9-18-38-37-17-8-16-36(50(37)57-51(38)39)35-15-7-14-34-33-13-2-4-25-47(33)56-49(34)35/h1-30H
InChIKeyMIKJAUVPDYHFBA-UHFFFAOYSA-N
MW762.96 g/mol
LogP14.37
Rot. Bonds5

About 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole

3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole (PubChem CID 58059079) has the molecular formula C51H30N4S2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole
PubChem CID58059079
Molecular FormulaC51H30N4S2
Molecular Weight762.96 g/mol
Exact Mass762.19
IUPAC Name3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc7c6sc6c(-c8cccc9c8sc8ccccc89)cccc67)n5)n4)ccc32)nc1
InChIInChI=1S/C51H30N4S2/c1-3-24-45-32(12-1)40-30-31(27-28-46(40)55(45)48-26-5-6-29-52-48)41-20-10-22-43(53-41)44-23-11-21-42(54-44)39-19-9-18-38-37-17-8-16-36(50(37)57-51(38)39)35-15-7-14-34-33-13-2-4-25-47(33)56-49(34)35/h1-30H
InChIKeyMIKJAUVPDYHFBA-UHFFFAOYSA-N
XLogP14.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole (CID 58059079) is 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc7c6sc6c(-c8cccc9c8sc8ccccc89)cccc67)n5)n4)ccc32)nc1.
What is the InChIKey of 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole?
The InChIKey is MIKJAUVPDYHFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S2/c1-3-24-45-32(12-1)40-30-31(27-28-46(40)55(45)48-26-5-6-29-52-48)41-20-10-22-43(53-41)44-23-11-21-42(54-44)39-19-9-18-38-37-17-8-16-36(50(37)57-51(38)39)35-15-7-14-34-33-13-2-4-25-47(33)56-49(34)35/h1-30H.
What are the key properties of 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole?
3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole has a molecular weight of 762.96 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 58059079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).