9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde

C23H27NO3 — CID 162523490

IUPAC9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
SMILESCC(C)(C)OCCC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C23H27NO3/c1-22(2,3)27-11-10-23(4,5)24-20-8-6-16(14-25)12-18(20)19-13-17(15-26)7-9-21(19)24/h6-9,12-15H,10-11H2,1-5H3
InChIKeyKBQGXQZQLUJHRX-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.36
Rot. Bonds6

About 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde

9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde (PubChem CID 162523490) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde.

Molecular Properties

Compound Name9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
PubChem CID162523490
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
SMILESCC(C)(C)OCCC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C23H27NO3/c1-22(2,3)27-11-10-23(4,5)24-20-8-6-16(14-25)12-18(20)19-13-17(15-26)7-9-21(19)24/h6-9,12-15H,10-11H2,1-5H3
InChIKeyKBQGXQZQLUJHRX-UHFFFAOYSA-N
XLogP5.36
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.36
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

methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
CID 162523489
9-tert-butylcarbazole-3,6-dicarbaldehyde
CID 140847857
3-(2,2-dimethylpropanoyl)benzaldehyde;3-methyl-1,3-bis[(2-methylpropan-2-yl)oxy]butane
CID 171622091
tert-butyl 2,7-diformylcarbazole-9-carboxylate
CID 10829746
tert-butyl 3-[2-(dimethylamino)ethyl]-5-formylindole-1-carboxylate
CID 19970899
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
3-iodo-1-methylindole-5-carbaldehyde
CID 124908219
3,4-bis[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 129155644
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
tert-butyl 5-formylindole-1-carboxylate
CID 11172622
1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde
CID 102910646
6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
CID 18931899

Frequently Asked Questions

What is the IUPAC name of 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde?
The IUPAC name of 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde (CID 162523490) is 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde.
What is the SMILES notation for 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde?
The canonical SMILES for 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde is CC(C)(C)OCCC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21.
What is the InChIKey of 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde?
The InChIKey is KBQGXQZQLUJHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-22(2,3)27-11-10-23(4,5)24-20-8-6-16(14-25)12-18(20)19-13-17(15-26)7-9-21(19)24/h6-9,12-15H,10-11H2,1-5H3.
What are the key properties of 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde?
9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde has a molecular weight of 365.47 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde is sourced from PubChem (CID 162523490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).