9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole

C30H23N3O — CID 153421943

IUPAC9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
SMILESCc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5cccc(C)n5)c4c3)c2)c1
InChIInChI=1S/C30H23N3O/c1-20-15-16-31-30(17-20)34-24-9-6-8-22(18-24)23-13-14-26-25-10-3-4-11-27(25)33(28(26)19-23)29-12-5-7-21(2)32-29/h3-19H,1-2H3
InChIKeyNBIPOHMZYMWUJR-UHFFFAOYSA-N
MW441.53 g/mol
LogP7.65
Rot. Bonds4

About 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole

9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole (PubChem CID 153421943) has the molecular formula C30H23N3O and a molecular weight of 441.53 g/mol. Its IUPAC name is 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole.

Molecular Properties

Compound Name9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
PubChem CID153421943
Molecular FormulaC30H23N3O
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
SMILESCc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5cccc(C)n5)c4c3)c2)c1
InChIInChI=1S/C30H23N3O/c1-20-15-16-31-30(17-20)34-24-9-6-8-22(18-24)23-13-14-26-25-10-3-4-11-27(25)33(28(26)19-23)29-12-5-7-21(2)32-29/h3-19H,1-2H3
InChIKeyNBIPOHMZYMWUJR-UHFFFAOYSA-N
XLogP7.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole?
The IUPAC name of 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole (CID 153421943) is 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole.
What is the SMILES notation for 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole?
The canonical SMILES for 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole is Cc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5cccc(C)n5)c4c3)c2)c1.
What is the InChIKey of 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole?
The InChIKey is NBIPOHMZYMWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O/c1-20-15-16-31-30(17-20)34-24-9-6-8-22(18-24)23-13-14-26-25-10-3-4-11-27(25)33(28(26)19-23)29-12-5-7-21(2)32-29/h3-19H,1-2H3.
What are the key properties of 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole?
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole has a molecular weight of 441.53 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole is sourced from PubChem (CID 153421943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).