5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole

C40H26N4 — CID 130417472

IUPAC5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccccn4)cc3c3cc4c5cc(-c6ccccn6)ccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C40H26N4/c1-3-11-29(12-4-1)43-37-19-17-27(35-15-7-9-21-41-35)23-31(37)33-25-34-32-24-28(36-16-8-10-22-42-36)18-20-38(32)44(40(34)26-39(33)43)30-13-5-2-6-14-30/h1-26H
InChIKeyZVKPNHVJIKKOJU-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole

5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole (PubChem CID 130417472) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
PubChem CID130417472
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccccn4)cc3c3cc4c5cc(-c6ccccn6)ccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C40H26N4/c1-3-11-29(12-4-1)43-37-19-17-27(35-15-7-9-21-41-35)23-31(37)33-25-34-32-24-28(36-16-8-10-22-42-36)18-20-38(32)44(40(34)26-39(33)43)30-13-5-2-6-14-30/h1-26H
InChIKeyZVKPNHVJIKKOJU-UHFFFAOYSA-N
XLogP10.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole?
The IUPAC name of 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole (CID 130417472) is 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole?
The canonical SMILES for 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccccn4)cc3c3cc4c5cc(-c6ccccn6)ccc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole?
The InChIKey is ZVKPNHVJIKKOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-11-29(12-4-1)43-37-19-17-27(35-15-7-9-21-41-35)23-31(37)33-25-34-32-24-28(36-16-8-10-22-42-36)18-20-38(32)44(40(34)26-39(33)43)30-13-5-2-6-14-30/h1-26H.
What are the key properties of 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole?
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole has a molecular weight of 562.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 130417472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).