9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole

C29H21N3O — CID 139406131

IUPAC9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILESCc1ccnc(-n2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)c1
InChIInChI=1S/C29H21N3O/c1-20-14-16-30-28(17-20)32-26-10-3-2-9-24(26)25-13-12-22(19-27(25)32)21-7-6-8-23(18-21)33-29-11-4-5-15-31-29/h2-19H,1H3
InChIKeyXLTWWOIUHQCBEG-UHFFFAOYSA-N
MW427.51 g/mol
LogP7.34
Rot. Bonds4

About 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole

9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole (PubChem CID 139406131) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole.

Molecular Properties

Compound Name9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
PubChem CID139406131
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILESCc1ccnc(-n2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)c1
InChIInChI=1S/C29H21N3O/c1-20-14-16-30-28(17-20)32-26-10-3-2-9-24(26)25-13-12-22(19-27(25)32)21-7-6-8-23(18-21)33-29-11-4-5-15-31-29/h2-19H,1H3
InChIKeyXLTWWOIUHQCBEG-UHFFFAOYSA-N
XLogP7.34
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole (CID 139406131) is 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole.
What is the SMILES notation for 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole is Cc1ccnc(-n2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)c1.
What is the InChIKey of 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The InChIKey is XLTWWOIUHQCBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-20-14-16-30-28(17-20)32-26-10-3-2-9-24(26)25-13-12-22(19-27(25)32)21-7-6-8-23(18-21)33-29-11-4-5-15-31-29/h2-19H,1H3.
What are the key properties of 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole has a molecular weight of 427.51 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole is sourced from PubChem (CID 139406131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).