5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine

C29H23BrN2OTe — CID 167378721

IUPAC5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccc(Oc4cccc(Br)c4)cc32)nc2cc[te]c12
InChIInChI=1S/C29H23BrN2OTe/c1-29(2,3)23-17-27(31-24-13-14-34-28(23)24)32-25-10-5-4-9-21(25)22-12-11-20(16-26(22)32)33-19-8-6-7-18(30)15-19/h4-17H,1-3H3
InChIKeyWRTMODNHDNSYHH-UHFFFAOYSA-N
MW623.02 g/mol
LogP8.24
Rot. Bonds3

About 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine

5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine (PubChem CID 167378721) has the molecular formula C29H23BrN2OTe and a molecular weight of 623.02 g/mol. Its IUPAC name is 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine.

Molecular Properties

Compound Name5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine
PubChem CID167378721
Molecular FormulaC29H23BrN2OTe
Molecular Weight623.02 g/mol
Exact Mass624.01
IUPAC Name5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccc(Oc4cccc(Br)c4)cc32)nc2cc[te]c12
InChIInChI=1S/C29H23BrN2OTe/c1-29(2,3)23-17-27(31-24-13-14-34-28(23)24)32-25-10-5-4-9-21(25)22-12-11-20(16-26(22)32)33-19-8-6-7-18(30)15-19/h4-17H,1-3H3
InChIKeyWRTMODNHDNSYHH-UHFFFAOYSA-N
XLogP8.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.02
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane
CID 164725465
(E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine
CID 170293781
9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)carbazol-2-ol
CID 167378737
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
2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane
CID 160810731
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine
CID 155649959
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole
CID 163420311
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
1-N-[3-[9-(4-tert-butylselenopheno[2,3-b]pyridin-6-yl)carbazol-2-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)benzene-1,2-diamine
CID 167378701

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine?
The IUPAC name of 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine (CID 167378721) is 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine.
What is the SMILES notation for 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine?
The canonical SMILES for 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine is CC(C)(C)c1cc(-n2c3ccccc3c3ccc(Oc4cccc(Br)c4)cc32)nc2cc[te]c12.
What is the InChIKey of 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine?
The InChIKey is WRTMODNHDNSYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23BrN2OTe/c1-29(2,3)23-17-27(31-24-13-14-34-28(23)24)32-25-10-5-4-9-21(25)22-12-11-20(16-26(22)32)33-19-8-6-7-18(30)15-19/h4-17H,1-3H3.
What are the key properties of 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine?
5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine has a molecular weight of 623.02 g/mol, XLogP of 8.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine is sourced from PubChem (CID 167378721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).