9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde

C107H95N7O7 — CID 157211282

IUPAC9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde
SMILESCC(C)n1c2ccccc2c2cc(C=O)ccc21.CCCn1c2ccccc2c2cc(C=O)ccc21.CCn1c2ccccc2c2cc(C=O)ccc21.Cc1cc(C=O)c(C)c2c1[nH]c1ccccc12.Cc1ccc(C)c2c1c1c(C)c(C=O)cc(C)c1n2C.Cn1c2ccccc2c2cc(C=O)ccc21.O=Cc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H19NO.2C16H15NO.2C15H13NO.C14H11NO.C13H9NO/c1-10-6-7-11(2)17-15(10)16-13(4)14(9-20)8-12(3)18(16)19(17)5;1-11(2)17-15-6-4-3-5-13(15)14-9-12(10-18)7-8-16(14)17;1-2-9-17-15-6-4-3-5-13(15)14-10-12(11-18)7-8-16(14)17;1-9-7-11(8-17)10(2)14-12-5-3-4-6-13(12)16-15(9)14;1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16;1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15;15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h6-9H,1-5H3;3-11H,1-2H3;3-8,10-11H,2,9H2,1H3;3-8,16H,1-2H3;3-10H,2H2,1H3;2-9H,1H3;1-8,14H
InChIKeyARXLKWIDEBOMEU-UHFFFAOYSA-N
MW1590.98 g/mol
LogP26.24
Rot. Bonds11

About 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde

9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde (PubChem CID 157211282) has the molecular formula C107H95N7O7 and a molecular weight of 1590.98 g/mol. Its IUPAC name is 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde
PubChem CID157211282
Molecular FormulaC107H95N7O7
Molecular Weight1590.98 g/mol
Exact Mass1589.73
IUPAC Name9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde
SMILESCC(C)n1c2ccccc2c2cc(C=O)ccc21.CCCn1c2ccccc2c2cc(C=O)ccc21.CCn1c2ccccc2c2cc(C=O)ccc21.Cc1cc(C=O)c(C)c2c1[nH]c1ccccc12.Cc1ccc(C)c2c1c1c(C)c(C=O)cc(C)c1n2C.Cn1c2ccccc2c2cc(C=O)ccc21.O=Cc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H19NO.2C16H15NO.2C15H13NO.C14H11NO.C13H9NO/c1-10-6-7-11(2)17-15(10)16-13(4)14(9-20)8-12(3)18(16)19(17)5;1-11(2)17-15-6-4-3-5-13(15)14-9-12(10-18)7-8-16(14)17;1-2-9-17-15-6-4-3-5-13(15)14-10-12(11-18)7-8-16(14)17;1-9-7-11(8-17)10(2)14-12-5-3-4-6-13(12)16-15(9)14;1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16;1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15;15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h6-9H,1-5H3;3-11H,1-2H3;3-8,10-11H,2,9H2,1H3;3-8,16H,1-2H3;3-10H,2H2,1H3;2-9H,1H3;1-8,14H
InChIKeyARXLKWIDEBOMEU-UHFFFAOYSA-N
XLogP26.24
TPSA175.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001590.98
LogP ≤ 526.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde with MolForge

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US12281099, Example I-088
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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde?
The IUPAC name of 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde (CID 157211282) is 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde.
What is the SMILES notation for 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde?
The canonical SMILES for 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde is CC(C)n1c2ccccc2c2cc(C=O)ccc21.CCCn1c2ccccc2c2cc(C=O)ccc21.CCn1c2ccccc2c2cc(C=O)ccc21.Cc1cc(C=O)c(C)c2c1[nH]c1ccccc12.Cc1ccc(C)c2c1c1c(C)c(C=O)cc(C)c1n2C.Cn1c2ccccc2c2cc(C=O)ccc21.O=Cc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde?
The InChIKey is ARXLKWIDEBOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.2C16H15NO.2C15H13NO.C14H11NO.C13H9NO/c1-10-6-7-11(2)17-15(10)16-13(4)14(9-20)8-12(3)18(16)19(17)5;1-11(2)17-15-6-4-3-5-13(15)14-9-12(10-18)7-8-16(14)17;1-2-9-17-15-6-4-3-5-13(15)14-10-12(11-18)7-8-16(14)17;1-9-7-11(8-17)10(2)14-12-5-3-4-6-13(12)16-15(9)14;1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16;1-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15;15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h6-9H,1-5H3;3-11H,1-2H3;3-8,10-11H,2,9H2,1H3;3-8,16H,1-2H3;3-10H,2H2,1H3;2-9H,1H3;1-8,14H.
What are the key properties of 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde?
9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde has a molecular weight of 1590.98 g/mol, XLogP of 26.24, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde is sourced from PubChem (CID 157211282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).