12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

C37H27N3O — CID 129111501

IUPAC12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESCCOc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C37H27N3O/c1-2-41-27-21-19-25(20-22-27)32-15-10-18-35(38-32)40-34-17-9-7-14-29(34)31-24-23-30-28-13-6-8-16-33(28)39(36(30)37(31)40)26-11-4-3-5-12-26/h3-24H,2H2,1H3
InChIKeyQPXHDZUFGRAGPF-UHFFFAOYSA-N
MW529.64 g/mol
LogP9.34
Rot. Bonds5

About 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 129111501) has the molecular formula C37H27N3O and a molecular weight of 529.64 g/mol. Its IUPAC name is 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID129111501
Molecular FormulaC37H27N3O
Molecular Weight529.64 g/mol
Exact Mass529.22
IUPAC Name12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESCCOc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C37H27N3O/c1-2-41-27-21-19-25(20-22-27)32-15-10-18-35(38-32)40-34-17-9-7-14-29(34)31-24-23-30-28-13-6-8-16-33(28)39(36(30)37(31)40)26-11-4-3-5-12-26/h3-24H,2H2,1H3
InChIKeyQPXHDZUFGRAGPF-UHFFFAOYSA-N
XLogP9.34
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (CID 129111501) is 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is CCOc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is QPXHDZUFGRAGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3O/c1-2-41-27-21-19-25(20-22-27)32-15-10-18-35(38-32)40-34-17-9-7-14-29(34)31-24-23-30-28-13-6-8-16-33(28)39(36(30)37(31)40)26-11-4-3-5-12-26/h3-24H,2H2,1H3.
What are the key properties of 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 529.64 g/mol, XLogP of 9.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(4-ethoxyphenyl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 129111501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).