9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole

C32H27N3O — CID 153421221

IUPAC9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILESCC(C)(C)c1cccnc1-n1c2ccccc2c2ccc(-c3cccc(Oc4ccccn4)c3)cc21
InChIInChI=1S/C32H27N3O/c1-32(2,3)27-13-9-19-34-31(27)35-28-14-5-4-12-25(28)26-17-16-23(21-29(26)35)22-10-8-11-24(20-22)36-30-15-6-7-18-33-30/h4-21H,1-3H3
InChIKeySJSNRPTVCHKMMT-UHFFFAOYSA-N
MW469.59 g/mol
LogP8.33
Rot. Bonds4

About 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole

9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole (PubChem CID 153421221) has the molecular formula C32H27N3O and a molecular weight of 469.59 g/mol. Its IUPAC name is 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole.

Molecular Properties

Compound Name9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
PubChem CID153421221
Molecular FormulaC32H27N3O
Molecular Weight469.59 g/mol
Exact Mass469.22
IUPAC Name9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILESCC(C)(C)c1cccnc1-n1c2ccccc2c2ccc(-c3cccc(Oc4ccccn4)c3)cc21
InChIInChI=1S/C32H27N3O/c1-32(2,3)27-13-9-19-34-31(27)35-28-14-5-4-12-25(28)26-17-16-23(21-29(26)35)22-10-8-11-24(20-22)36-30-15-6-7-18-33-30/h4-21H,1-3H3
InChIKeySJSNRPTVCHKMMT-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

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
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
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
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
CID 153421354
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
9-[9-(3-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3,4-diphenyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163565624
9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
CID 140818788

Frequently Asked Questions

What is the IUPAC name of 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The IUPAC name of 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole (CID 153421221) is 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole.
What is the SMILES notation for 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The canonical SMILES for 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole is CC(C)(C)c1cccnc1-n1c2ccccc2c2ccc(-c3cccc(Oc4ccccn4)c3)cc21.
What is the InChIKey of 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The InChIKey is SJSNRPTVCHKMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O/c1-32(2,3)27-13-9-19-34-31(27)35-28-14-5-4-12-25(28)26-17-16-23(21-29(26)35)22-10-8-11-24(20-22)36-30-15-6-7-18-33-30/h4-21H,1-3H3.
What are the key properties of 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole 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 9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole is sourced from PubChem (CID 153421221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).