9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole

C32H27N5O — CID 169289244

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5ccn6ccnc56)c4)cc32)c1
InChIInChI=1S/C32H27N5O/c1-32(2,3)22-13-14-33-30(19-22)37-28-10-5-4-9-26(28)27-12-11-25(21-29(27)37)38-24-8-6-7-23(20-24)36-18-17-35-16-15-34-31(35)36/h4-21H,1-3H3
InChIKeyPWZNPJHUKCIKPL-UHFFFAOYSA-N
MW497.60 g/mol
LogP7.71
Rot. Bonds4

About 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole

9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole (PubChem CID 169289244) has the molecular formula C32H27N5O and a molecular weight of 497.60 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole
PubChem CID169289244
Molecular FormulaC32H27N5O
Molecular Weight497.60 g/mol
Exact Mass497.22
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5ccn6ccnc56)c4)cc32)c1
InChIInChI=1S/C32H27N5O/c1-32(2,3)22-13-14-33-30(19-22)37-28-10-5-4-9-26(28)27-12-11-25(21-29(27)37)38-24-8-6-7-23(20-24)36-18-17-35-16-15-34-31(35)36/h4-21H,1-3H3
InChIKeyPWZNPJHUKCIKPL-UHFFFAOYSA-N
XLogP7.71
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-1,2,4-triazol-4-yl)phenoxy]carbazole
CID 170654633
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)
CID 175822532
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]carbazole
CID 154483088
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(trideuteriomethyl)benzimidazol-3-ium-1-yl]phenoxy]carbazole iodide
CID 137364561
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxy-2H-imidazol-3-ium-2-id-1-yl)phenoxy]carbazole
CID 166029298
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-3-ium-2-id-1-yl)phenoxy]carbazole
CID 164788662
3-tert-butyl-5-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289194
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole (CID 169289244) is 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5ccn6ccnc56)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole?
The InChIKey is PWZNPJHUKCIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O/c1-32(2,3)22-13-14-33-30(19-22)37-28-10-5-4-9-26(28)27-12-11-25(21-29(27)37)38-24-8-6-7-23(20-24)36-18-17-35-16-15-34-31(35)36/h4-21H,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole has a molecular weight of 497.60 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole is sourced from PubChem (CID 169289244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).