2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole

C32H27N3O — CID 153421793

IUPAC2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1
InChIInChI=1S/C32H27N3O/c1-32(2,3)24-15-17-31(34-21-24)36-25-10-8-9-22(19-25)23-14-16-27-26-11-4-5-12-28(26)35(29(27)20-23)30-13-6-7-18-33-30/h4-21H,1-3H3
InChIKeyUHWUPCUQQLPZOF-UHFFFAOYSA-N
MW469.59 g/mol
LogP8.33
Rot. Bonds4

About 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole

2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole (PubChem CID 153421793) has the molecular formula C32H27N3O and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
PubChem CID153421793
Molecular FormulaC32H27N3O
Molecular Weight469.59 g/mol
Exact Mass469.22
IUPAC Name2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1
InChIInChI=1S/C32H27N3O/c1-32(2,3)24-15-17-31(34-21-24)36-25-10-8-9-22(19-25)23-14-16-27-26-11-4-5-12-28(26)35(29(27)20-23)30-13-6-7-18-33-30/h4-21H,1-3H3
InChIKeyUHWUPCUQQLPZOF-UHFFFAOYSA-N
XLogP8.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
CID 157488582
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
CID 153421354
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
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
N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine
CID 159430462
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole (CID 153421793) is 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole is CC(C)(C)c1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1.
What is the InChIKey of 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole?
The InChIKey is UHWUPCUQQLPZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O/c1-32(2,3)24-15-17-31(34-21-24)36-25-10-8-9-22(19-25)23-14-16-27-26-11-4-5-12-28(26)35(29(27)20-23)30-13-6-7-18-33-30/h4-21H,1-3H3.
What are the key properties of 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole?
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole has a molecular weight of 469.59 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 153421793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).