9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole

C34H23N3O — CID 140818788

IUPAC9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(Oc6ccccn6)c5)nc4)ccc32)cc1
InChIInChI=1S/C34H23N3O/c1-2-10-27(11-3-1)37-32-14-5-4-13-29(32)30-22-24(17-19-33(30)37)26-16-18-31(36-23-26)25-9-8-12-28(21-25)38-34-15-6-7-20-35-34/h1-23H
InChIKeyHJYKWXRQGOKVCE-UHFFFAOYSA-N
MW489.58 g/mol
LogP8.70
Rot. Bonds5

About 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole

9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole (PubChem CID 140818788) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
PubChem CID140818788
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(Oc6ccccn6)c5)nc4)ccc32)cc1
InChIInChI=1S/C34H23N3O/c1-2-10-27(11-3-1)37-32-14-5-4-13-29(32)30-22-24(17-19-33(30)37)26-16-18-31(36-23-26)25-9-8-12-28(21-25)38-34-15-6-7-20-35-34/h1-23H
InChIKeyHJYKWXRQGOKVCE-UHFFFAOYSA-N
XLogP8.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole?
The IUPAC name of 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole (CID 140818788) is 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole?
The canonical SMILES for 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(Oc6ccccn6)c5)nc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole?
The InChIKey is HJYKWXRQGOKVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-2-10-27(11-3-1)37-32-14-5-4-13-29(32)30-22-24(17-19-33(30)37)26-16-18-31(36-23-26)25-9-8-12-28(21-25)38-34-15-6-7-20-35-34/h1-23H.
What are the key properties of 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole?
9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole has a molecular weight of 489.58 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole is sourced from PubChem (CID 140818788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).