2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole

C35H31N5O — CID 162274979

IUPAC2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1ccc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)N2)cc1
InChIInChI=1S/C35H31N5O/c1-35(2,3)25-14-16-26(17-15-25)38-21-22-39(37-38)27-9-8-10-28(23-27)41-29-18-19-31-30-11-4-5-12-32(30)40(33(31)24-29)34-13-6-7-20-36-34/h4-24,37H,1-3H3
InChIKeyYRJAMTHNYOZQCG-UHFFFAOYSA-N
MW537.67 g/mol
LogP8.49
Rot. Bonds5

About 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole

2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 162274979) has the molecular formula C35H31N5O and a molecular weight of 537.67 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID162274979
Molecular FormulaC35H31N5O
Molecular Weight537.67 g/mol
Exact Mass537.25
IUPAC Name2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1ccc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)N2)cc1
InChIInChI=1S/C35H31N5O/c1-35(2,3)25-14-16-26(17-15-25)38-21-22-39(37-38)27-9-8-10-28(23-27)41-29-18-19-31-30-11-4-5-12-32(30)40(33(31)24-29)34-13-6-7-20-36-34/h4-24,37H,1-3H3
InChIKeyYRJAMTHNYOZQCG-UHFFFAOYSA-N
XLogP8.49
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 140788878
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431
2-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
[1-(3-tert-butylphenyl)-3-[4-tert-butyl-3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5,6-dimethylbenzimidazol-2-ylidene]platinum
CID 176871112
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (CID 162274979) is 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is CC(C)(C)c1ccc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)N2)cc1.
What is the InChIKey of 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is YRJAMTHNYOZQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N5O/c1-35(2,3)25-14-16-26(17-15-25)38-21-22-39(37-38)27-9-8-10-28(23-27)41-29-18-19-31-30-11-4-5-12-32(30)40(33(31)24-29)34-13-6-7-20-36-34/h4-24,37H,1-3H3.
What are the key properties of 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 537.67 g/mol, XLogP of 8.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 162274979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).