9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde

C30H21N3O — CID 89166054

IUPAC9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde
SMILESO=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C=CCC3)n1
InChIInChI=1S/C30H21N3O/c34-19-20-16-17-28-24(18-20)23-10-3-6-13-27(23)33(28)30-15-7-14-29(31-30)32-25-11-4-1-8-21(25)22-9-2-5-12-26(22)32/h1-4,6-11,13-19H,5,12H2
InChIKeyIXLBGBACXAPRAE-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.89
Rot. Bonds3

About 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde

9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde (PubChem CID 89166054) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde
PubChem CID89166054
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde
SMILESO=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C=CCC3)n1
InChIInChI=1S/C30H21N3O/c34-19-20-16-17-28-24(18-20)23-10-3-6-13-27(23)33(28)30-15-7-14-29(31-30)32-25-11-4-1-8-21(25)22-9-2-5-12-26(22)32/h1-4,6-11,13-19H,5,12H2
InChIKeyIXLBGBACXAPRAE-UHFFFAOYSA-N
XLogP6.89
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde?
The IUPAC name of 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde (CID 89166054) is 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde?
The canonical SMILES for 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde is O=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C=CCC3)n1.
What is the InChIKey of 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde?
The InChIKey is IXLBGBACXAPRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c34-19-20-16-17-28-24(18-20)23-10-3-6-13-27(23)33(28)30-15-7-14-29(31-30)32-25-11-4-1-8-21(25)22-9-2-5-12-26(22)32/h1-4,6-11,13-19H,5,12H2.
What are the key properties of 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde?
9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde has a molecular weight of 439.52 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(1,2-dihydrocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbaldehyde is sourced from PubChem (CID 89166054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).