2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole

C38H26N4O — CID 86343224

IUPAC2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(-n6cc(-c7ccccc7)cn6)c5)cc43)c2)cc1
InChIInChI=1S/C38H26N4O/c1-3-10-27(11-4-1)29-20-21-39-38(22-29)42-36-17-8-7-16-34(36)35-19-18-33(24-37(35)42)43-32-15-9-14-31(23-32)41-26-30(25-40-41)28-12-5-2-6-13-28/h1-26H
InChIKeyIPZBFQYXTPHWAX-UHFFFAOYSA-N
MW554.65 g/mol
LogP9.49
Rot. Bonds6

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

2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole (PubChem CID 86343224) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
PubChem CID86343224
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC Name2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(-n6cc(-c7ccccc7)cn6)c5)cc43)c2)cc1
InChIInChI=1S/C38H26N4O/c1-3-10-27(11-4-1)29-20-21-39-38(22-29)42-36-17-8-7-16-34(36)35-19-18-33(24-37(35)42)43-32-15-9-14-31(23-32)41-26-30(25-40-41)28-12-5-2-6-13-28/h1-26H
InChIKeyIPZBFQYXTPHWAX-UHFFFAOYSA-N
XLogP9.49
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole (CID 86343224) is 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole is c1ccc(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(-n6cc(-c7ccccc7)cn6)c5)cc43)c2)cc1.
What is the InChIKey of 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The InChIKey is IPZBFQYXTPHWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-3-10-27(11-4-1)29-20-21-39-38(22-29)42-36-17-8-7-16-34(36)35-19-18-33(24-37(35)42)43-32-15-9-14-31(23-32)41-26-30(25-40-41)28-12-5-2-6-13-28/h1-26H.
What are the key properties of 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole has a molecular weight of 554.65 g/mol, XLogP of 9.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 86343224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).