6,7-dimethyl-9H-carbazole-3-carbaldehyde

C15H13NO — CID 12733102

IUPAC6,7-dimethyl-9H-carbazole-3-carbaldehyde
SMILESCc1cc2[nH]c3ccc(C=O)cc3c2cc1C
InChIInChI=1S/C15H13NO/c1-9-5-12-13-7-11(8-17)3-4-14(13)16-15(12)6-10(9)2/h3-8,16H,1-2H3
InChIKeySFPCUKVECLIZMA-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.75
Rot. Bonds1

About 6,7-dimethyl-9H-carbazole-3-carbaldehyde

6,7-dimethyl-9H-carbazole-3-carbaldehyde (PubChem CID 12733102) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 6,7-dimethyl-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethyl-9H-carbazole-3-carbaldehyde
PubChem CID12733102
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name6,7-dimethyl-9H-carbazole-3-carbaldehyde
SMILESCc1cc2[nH]c3ccc(C=O)cc3c2cc1C
InChIInChI=1S/C15H13NO/c1-9-5-12-13-7-11(8-17)3-4-14(13)16-15(12)6-10(9)2/h3-8,16H,1-2H3
InChIKeySFPCUKVECLIZMA-UHFFFAOYSA-N
XLogP3.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-9H-carbazole-3-carbaldehyde
CID 90202443
6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde
CID 57130109
9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 23559431
1,6-dihydroxy-7-methyl-9H-carbazole-3-carbaldehyde
CID 130280433
2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde
CID 87140887
2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde
CID 23559428
9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde
CID 134556464
1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde
CID 174875105
3-acetyl-1H-indazole-5-carbaldehyde
CID 169168282
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde
CID 146605589
5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde
CID 11807891

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-9H-carbazole-3-carbaldehyde?
The IUPAC name of 6,7-dimethyl-9H-carbazole-3-carbaldehyde (CID 12733102) is 6,7-dimethyl-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 6,7-dimethyl-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 6,7-dimethyl-9H-carbazole-3-carbaldehyde is Cc1cc2[nH]c3ccc(C=O)cc3c2cc1C.
What is the InChIKey of 6,7-dimethyl-9H-carbazole-3-carbaldehyde?
The InChIKey is SFPCUKVECLIZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-9-5-12-13-7-11(8-17)3-4-14(13)16-15(12)6-10(9)2/h3-8,16H,1-2H3.
What are the key properties of 6,7-dimethyl-9H-carbazole-3-carbaldehyde?
6,7-dimethyl-9H-carbazole-3-carbaldehyde has a molecular weight of 223.28 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 12733102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).