1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole

C27H23BrN2O — CID 175858978

IUPAC1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1cc(Br)cc(Oc2cccc3c4ccccc4n(-c4ccccn4)c23)c1
InChIInChI=1S/C27H23BrN2O/c1-27(2,3)18-15-19(28)17-20(16-18)31-24-12-8-10-22-21-9-4-5-11-23(21)30(26(22)24)25-13-6-7-14-29-25/h4-17H,1-3H3
InChIKeyPXNHUNOGLVVYBX-UHFFFAOYSA-N
MW471.40 g/mol
LogP8.03
Rot. Bonds3

About 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole

1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole (PubChem CID 175858978) has the molecular formula C27H23BrN2O and a molecular weight of 471.40 g/mol. Its IUPAC name is 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole
PubChem CID175858978
Molecular FormulaC27H23BrN2O
Molecular Weight471.40 g/mol
Exact Mass470.10
IUPAC Name1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1cc(Br)cc(Oc2cccc3c4ccccc4n(-c4ccccn4)c23)c1
InChIInChI=1S/C27H23BrN2O/c1-27(2,3)18-15-19(28)17-20(16-18)31-24-12-8-10-22-21-9-4-5-11-23(21)30(26(22)24)25-13-6-7-14-29-25/h4-17H,1-3H3
InChIKeyPXNHUNOGLVVYBX-UHFFFAOYSA-N
XLogP8.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.40
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-bromo-3-[4-(4-tert-butyl-2-pyridinyl)phenoxy]phenoxy]-9-pyridin-2-ylcarbazole
CID 156629916
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
12-tert-butyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154610968
1-(4-fluorophenyl)-9-pyridin-2-ylcarbazole
CID 71524443
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
24-phenyl-3-pyridin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122465004
9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole
CID 158386761
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine
CID 170933731
3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 168799785

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole?
The IUPAC name of 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole (CID 175858978) is 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole?
The canonical SMILES for 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole is CC(C)(C)c1cc(Br)cc(Oc2cccc3c4ccccc4n(-c4ccccn4)c23)c1.
What is the InChIKey of 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole?
The InChIKey is PXNHUNOGLVVYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN2O/c1-27(2,3)18-15-19(28)17-20(16-18)31-24-12-8-10-22-21-9-4-5-11-23(21)30(26(22)24)25-13-6-7-14-29-25/h4-17H,1-3H3.
What are the key properties of 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole?
1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole has a molecular weight of 471.40 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-tert-butylphenoxy)-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 175858978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).