2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole

C34H26N4O — CID 86343980

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6)ccn5)c4c3)c2)n1
InChIInChI=1S/C34H26N4O/c1-23-19-24(2)38(36-23)27-11-8-12-28(21-27)39-29-15-16-31-30-13-6-7-14-32(30)37(33(31)22-29)34-20-26(17-18-35-34)25-9-4-3-5-10-25/h3-22H,1-2H3
InChIKeyUIELYIGTHKWIFN-UHFFFAOYSA-N
MW506.61 g/mol
LogP8.44
Rot. Bonds5

About 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole

2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole (PubChem CID 86343980) has the molecular formula C34H26N4O and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
PubChem CID86343980
Molecular FormulaC34H26N4O
Molecular Weight506.61 g/mol
Exact Mass506.21
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6)ccn5)c4c3)c2)n1
InChIInChI=1S/C34H26N4O/c1-23-19-24(2)38(36-23)27-11-8-12-28(21-27)39-29-15-16-31-30-13-6-7-14-32(30)37(33(31)22-29)34-20-26(17-18-35-34)25-9-4-3-5-10-25/h3-22H,1-2H3
InChIKeyUIELYIGTHKWIFN-UHFFFAOYSA-N
XLogP8.44
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole (CID 86343980) is 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole is Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6)ccn5)c4c3)c2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The InChIKey is UIELYIGTHKWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O/c1-23-19-24(2)38(36-23)27-11-8-12-28(21-27)39-29-15-16-31-30-13-6-7-14-32(30)37(33(31)22-29)34-20-26(17-18-35-34)25-9-4-3-5-10-25/h3-22H,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole has a molecular weight of 506.61 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 86343980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).