5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole

C40H26N4 — CID 58038356

IUPAC5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)n6)c5cc43)n2)cc1
InChIInChI=1S/C40H26N4/c1-3-13-27(14-4-1)33-19-11-23-39(41-33)43-35-21-9-7-17-29(35)31-25-32-30-18-8-10-22-36(30)44(38(32)26-37(31)43)40-24-12-20-34(42-40)28-15-5-2-6-16-28/h1-26H
InChIKeyPRUQHKCAGXQIMJ-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole

5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole (PubChem CID 58038356) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
PubChem CID58038356
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)n6)c5cc43)n2)cc1
InChIInChI=1S/C40H26N4/c1-3-13-27(14-4-1)33-19-11-23-39(41-33)43-35-21-9-7-17-29(35)31-25-32-30-18-8-10-22-36(30)44(38(32)26-37(31)43)40-24-12-20-34(42-40)28-15-5-2-6-16-28/h1-26H
InChIKeyPRUQHKCAGXQIMJ-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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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole?
The IUPAC name of 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole (CID 58038356) is 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole?
The canonical SMILES for 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)n6)c5cc43)n2)cc1.
What is the InChIKey of 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole?
The InChIKey is PRUQHKCAGXQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-13-27(14-4-1)33-19-11-23-39(41-33)43-35-21-9-7-17-29(35)31-25-32-30-18-8-10-22-36(30)44(38(32)26-37(31)43)40-24-12-20-34(42-40)28-15-5-2-6-16-28/h1-26H.
What are the key properties of 5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole?
5,7-bis(6-phenyl-2-pyridinyl)indolo[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-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 58038356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).