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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Related Compounds

9-ethyl-7,8-dihydrocarbazole-3-carbaldehyde
CID 89199923
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
CID 166931652
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine
CID 66828059
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 134388922
9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole
CID 70669820
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020

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).