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

C40H29N5O — CID 86344163

IUPAC9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4c3)c2)n1
InChIInChI=1S/C40H29N5O/c1-26-22-27(2)45(42-26)29-10-9-11-30(23-29)46-31-18-19-35-34-14-5-8-17-38(34)44(39(35)25-31)40-24-28(20-21-41-40)43-36-15-6-3-12-32(36)33-13-4-7-16-37(33)43/h3-25H,1-2H3
InChIKeyPBXDCUHQPGCLPS-UHFFFAOYSA-N
MW595.71 g/mol
LogP9.87
Rot. Bonds5

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

9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole (PubChem CID 86344163) has the molecular formula C40H29N5O and a molecular weight of 595.71 g/mol. Its IUPAC name is 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole
PubChem CID86344163
Molecular FormulaC40H29N5O
Molecular Weight595.71 g/mol
Exact Mass595.24
IUPAC Name9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4c3)c2)n1
InChIInChI=1S/C40H29N5O/c1-26-22-27(2)45(42-26)29-10-9-11-30(23-29)46-31-18-19-35-34-14-5-8-17-38(34)44(39(35)25-31)40-24-28(20-21-41-40)43-36-15-6-3-12-32(36)33-13-4-7-16-37(33)43/h3-25H,1-2H3
InChIKeyPBXDCUHQPGCLPS-UHFFFAOYSA-N
XLogP9.87
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.71
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole?
The IUPAC name of 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole (CID 86344163) is 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole.
What is the SMILES notation for 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole?
The canonical SMILES for 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole is Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4c3)c2)n1.
What is the InChIKey of 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole?
The InChIKey is PBXDCUHQPGCLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N5O/c1-26-22-27(2)45(42-26)29-10-9-11-30(23-29)46-31-18-19-35-34-14-5-8-17-38(34)44(39(35)25-31)40-24-28(20-21-41-40)43-36-15-6-3-12-32(36)33-13-4-7-16-37(33)43/h3-25H,1-2H3.
What are the key properties of 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole?
9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole has a molecular weight of 595.71 g/mol, XLogP of 9.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 86344163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).