2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C34H37N5O — CID 140788878

IUPAC2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCN1C=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)N1
InChIInChI=1S/C34H37N5O/c1-33(2,3)23-14-15-35-32(20-23)39-30-11-9-8-10-28(30)29-13-12-26(22-31(29)39)40-27-19-24(34(4,5)6)18-25(21-27)38-17-16-37(7)36-38/h8-22,36H,1-7H3
InChIKeyPYVVMFVCYPQYJR-UHFFFAOYSA-N
MW531.70 g/mol
LogP8.21
Rot. Bonds4

About 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 140788878) has the molecular formula C34H37N5O and a molecular weight of 531.70 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID140788878
Molecular FormulaC34H37N5O
Molecular Weight531.70 g/mol
Exact Mass531.30
IUPAC Name2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCN1C=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)N1
InChIInChI=1S/C34H37N5O/c1-33(2,3)23-14-15-35-32(20-23)39-30-11-9-8-10-28(30)29-13-12-26(22-31(29)39)40-27-19-24(34(4,5)6)18-25(21-27)38-17-16-37(7)36-38/h8-22,36H,1-7H3
InChIKeyPYVVMFVCYPQYJR-UHFFFAOYSA-N
XLogP8.21
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.70
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
2-[3-tert-butyl-5-(6-tert-butyl-2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606685
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176775981
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 161137639
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
2-[3-tert-butyl-5-[3-(3,5-diphenylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651750
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 160769614
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158982899
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 167415388
2-[3-tert-butyl-5-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153415504

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 140788878) is 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CN1C=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)N1.
What is the InChIKey of 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is PYVVMFVCYPQYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O/c1-33(2,3)23-14-15-35-32(20-23)39-30-11-9-8-10-28(30)29-13-12-26(22-31(29)39)40-27-19-24(34(4,5)6)18-25(21-27)38-17-16-37(7)36-38/h8-22,36H,1-7H3.
What are the key properties of 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 531.70 g/mol, XLogP of 8.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 140788878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).