9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole

C35H33FN4O2 — CID 155100433

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc(F)c(-c5nccn5C5CCCCO5)c4)cc32)c1
InChIInChI=1S/C35H33FN4O2/c1-35(2,3)23-15-16-37-32(20-23)40-30-9-5-4-8-26(30)27-13-11-25(22-31(27)40)42-24-12-14-29(36)28(21-24)34-38-17-18-39(34)33-10-6-7-19-41-33/h4-5,8-9,11-18,20-22,33H,6-7,10,19H2,1-3H3
InChIKeyJGCTUFMLJJKLKU-UHFFFAOYSA-N
MW560.67 g/mol
LogP8.97
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole (PubChem CID 155100433) has the molecular formula C35H33FN4O2 and a molecular weight of 560.67 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole
PubChem CID155100433
Molecular FormulaC35H33FN4O2
Molecular Weight560.67 g/mol
Exact Mass560.26
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc(F)c(-c5nccn5C5CCCCO5)c4)cc32)c1
InChIInChI=1S/C35H33FN4O2/c1-35(2,3)23-15-16-37-32(20-23)40-30-9-5-4-8-26(30)27-13-11-25(22-31(27)40)42-24-12-14-29(36)28(21-24)34-38-17-18-39(34)33-10-6-7-19-41-33/h4-5,8-9,11-18,20-22,33H,6-7,10,19H2,1-3H3
InChIKeyJGCTUFMLJJKLKU-UHFFFAOYSA-N
XLogP8.97
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.67
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole (CID 155100433) is 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc(F)c(-c5nccn5C5CCCCO5)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole?
The InChIKey is JGCTUFMLJJKLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN4O2/c1-35(2,3)23-15-16-37-32(20-23)40-30-9-5-4-8-26(30)27-13-11-25(22-31(27)40)42-24-12-14-29(36)28(21-24)34-38-17-18-39(34)33-10-6-7-19-41-33/h4-5,8-9,11-18,20-22,33H,6-7,10,19H2,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole has a molecular weight of 560.67 g/mol, XLogP of 8.97, 5 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-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole is sourced from PubChem (CID 155100433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).