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

C24H31NO3 — CID 162523489

IUPACmethane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
SMILESC.CC(C)(C)OCCC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C23H27NO3.CH4/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;1H4
InChIKeyVYBWVZPZMRLLSC-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.00
Rot. Bonds6

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

methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde (PubChem CID 162523489) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde.

Molecular Properties

Compound Namemethane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
PubChem CID162523489
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Namemethane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
SMILESC.CC(C)(C)OCCC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C23H27NO3.CH4/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;1H4
InChIKeyVYBWVZPZMRLLSC-UHFFFAOYSA-N
XLogP6.00
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
CID 162523490
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 methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde?
The IUPAC name of methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde (CID 162523489) is methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde.
What is the SMILES notation for methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde?
The canonical SMILES for methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde is C.CC(C)(C)OCCC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21.
What is the InChIKey of methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde?
The InChIKey is VYBWVZPZMRLLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3.CH4/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;1H4.
What are the key properties of methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde?
methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde has a molecular weight of 381.52 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde is sourced from PubChem (CID 162523489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).