6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole

C38H24N8 — CID 123202086

IUPAC6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ccn(-c6cnc(-c7ccncc7)nc6)c5ccc43)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C38H24N8/c1-2-10-35-28(7-1)37-29-15-20-45(27-23-42-38(43-24-27)25-13-18-39-19-14-25)34(29)11-12-36(37)46(35)26-21-32(30-8-3-5-16-40-30)44-33(22-26)31-9-4-6-17-41-31/h1-24H
InChIKeyGHIOOEYNQUHPNO-UHFFFAOYSA-N
MW592.67 g/mol
LogP8.10
Rot. Bonds5

About 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole

6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole (PubChem CID 123202086) has the molecular formula C38H24N8 and a molecular weight of 592.67 g/mol. Its IUPAC name is 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
PubChem CID123202086
Molecular FormulaC38H24N8
Molecular Weight592.67 g/mol
Exact Mass592.21
IUPAC Name6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ccn(-c6cnc(-c7ccncc7)nc6)c5ccc43)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C38H24N8/c1-2-10-35-28(7-1)37-29-15-20-45(27-23-42-38(43-24-27)25-13-18-39-19-14-25)34(29)11-12-36(37)46(35)26-21-32(30-8-3-5-16-40-30)44-33(22-26)31-9-4-6-17-41-31/h1-24H
InChIKeyGHIOOEYNQUHPNO-UHFFFAOYSA-N
XLogP8.10
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole?
The IUPAC name of 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole (CID 123202086) is 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole.
What is the SMILES notation for 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole?
The canonical SMILES for 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4c5ccn(-c6cnc(-c7ccncc7)nc6)c5ccc43)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole?
The InChIKey is GHIOOEYNQUHPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N8/c1-2-10-35-28(7-1)37-29-15-20-45(27-23-42-38(43-24-27)25-13-18-39-19-14-25)34(29)11-12-36(37)46(35)26-21-32(30-8-3-5-16-40-30)44-33(22-26)31-9-4-6-17-41-31/h1-24H.
What are the key properties of 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole?
6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole has a molecular weight of 592.67 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 123202086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).