2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole

C29H21N3O2 — CID 153421155

IUPAC2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
SMILESCOc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c1
InChIInChI=1S/C29H21N3O2/c1-33-22-14-16-31-29(19-22)34-23-8-6-7-20(17-23)21-12-13-25-24-9-2-3-10-26(24)32(27(25)18-21)28-11-4-5-15-30-28/h2-19H,1H3
InChIKeyHUFDMGFEEKTZLW-UHFFFAOYSA-N
MW443.51 g/mol
LogP7.04
Rot. Bonds5

About 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole

2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole (PubChem CID 153421155) has the molecular formula C29H21N3O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
PubChem CID153421155
Molecular FormulaC29H21N3O2
Molecular Weight443.51 g/mol
Exact Mass443.16
IUPAC Name2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
SMILESCOc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c1
InChIInChI=1S/C29H21N3O2/c1-33-22-14-16-31-29(19-22)34-23-8-6-7-20(17-23)21-12-13-25-24-9-2-3-10-26(24)32(27(25)18-21)28-11-4-5-15-30-28/h2-19H,1H3
InChIKeyHUFDMGFEEKTZLW-UHFFFAOYSA-N
XLogP7.04
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-cyclopentyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]carbazole
CID 153421975
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421943
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765
N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine
CID 159430462
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole (CID 153421155) is 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole is COc1ccnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c1.
What is the InChIKey of 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole?
The InChIKey is HUFDMGFEEKTZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O2/c1-33-22-14-16-31-29(19-22)34-23-8-6-7-20(17-23)21-12-13-25-24-9-2-3-10-26(24)32(27(25)18-21)28-11-4-5-15-30-28/h2-19H,1H3.
What are the key properties of 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole?
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole has a molecular weight of 443.51 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 153421155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).