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

C30H25FN4O — CID 155100398

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc(F)c(-c5ncc[nH]5)c4)cc32)c1
InChIInChI=1S/C30H25FN4O/c1-30(2,3)19-12-13-32-28(16-19)35-26-7-5-4-6-22(26)23-10-8-21(18-27(23)35)36-20-9-11-25(31)24(17-20)29-33-14-15-34-29/h4-18H,1-3H3,(H,33,34)
InChIKeyRGBBPCBMPURCFT-UHFFFAOYSA-N
MW476.56 g/mol
LogP7.80
Rot. Bonds4

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

9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole (PubChem CID 155100398) has the molecular formula C30H25FN4O and a molecular weight of 476.56 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole
PubChem CID155100398
Molecular FormulaC30H25FN4O
Molecular Weight476.56 g/mol
Exact Mass476.20
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc(F)c(-c5ncc[nH]5)c4)cc32)c1
InChIInChI=1S/C30H25FN4O/c1-30(2,3)19-12-13-32-28(16-19)35-26-7-5-4-6-22(26)23-10-8-21(18-27(23)35)36-20-9-11-25(31)24(17-20)29-33-14-15-34-29/h4-18H,1-3H3,(H,33,34)
InChIKeyRGBBPCBMPURCFT-UHFFFAOYSA-N
XLogP7.80
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole (CID 155100398) is 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc(F)c(-c5ncc[nH]5)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole?
The InChIKey is RGBBPCBMPURCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O/c1-30(2,3)19-12-13-32-28(16-19)35-26-7-5-4-6-22(26)23-10-8-21(18-27(23)35)36-20-9-11-25(31)24(17-20)29-33-14-15-34-29/h4-18H,1-3H3,(H,33,34).
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole has a molecular weight of 476.56 g/mol, XLogP of 7.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[4-fluoro-3-(1H-imidazol-2-yl)phenoxy]carbazole is sourced from PubChem (CID 155100398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).