tert-butyl 2,7-diformylcarbazole-9-carboxylate

C19H17NO4 — CID 10829746

IUPACtert-butyl 2,7-diformylcarbazole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2cc(C=O)ccc2c2ccc(C=O)cc21
InChIInChI=1S/C19H17NO4/c1-19(2,3)24-18(23)20-16-8-12(10-21)4-6-14(16)15-7-5-13(11-22)9-17(15)20/h4-11H,1-3H3
InChIKeyALYVQSPAXFTERX-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.20
Rot. Bonds2

About tert-butyl 2,7-diformylcarbazole-9-carboxylate

tert-butyl 2,7-diformylcarbazole-9-carboxylate (PubChem CID 10829746) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is tert-butyl 2,7-diformylcarbazole-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,7-diformylcarbazole-9-carboxylate
PubChem CID10829746
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nametert-butyl 2,7-diformylcarbazole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2cc(C=O)ccc2c2ccc(C=O)cc21
InChIInChI=1S/C19H17NO4/c1-19(2,3)24-18(23)20-16-8-12(10-21)4-6-14(16)15-7-5-13(11-22)9-17(15)20/h4-11H,1-3H3
InChIKeyALYVQSPAXFTERX-UHFFFAOYSA-N
XLogP4.20
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-formylindole-1-carboxylate
CID 11172622
9-acetyl-7-methoxycarbazole-2-carbaldehyde
CID 176804887
tert-butyl 3,8-diformylbenzo[b][1]benzazepine-11-carboxylate
CID 139932788
tert-butyl 5-formylbenzotriazole-1-carboxylate
CID 11637374
tert-butyl 5-formylbenzimidazole-1-carboxylate;tert-butyl 6-formylbenzimidazole-1-carboxylate
CID 161032302
tert-butyl 7-formyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58277799
tert-butyl 4-(5-formyl-2-methoxyphenyl)piperidine-1-carboxylate
CID 167311933
tert-butyl 3-formyl-2,5-dimethylindole-1-carboxylate
CID 118084216
tert-butyl 6-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate
CID 20821658
tert-butyl 3-[2-(dimethylamino)ethyl]-5-formylindole-1-carboxylate
CID 19970899
tert-butyl 6-formyl-1,4-benzoxazine-4-carboxylate
CID 59592653
tert-butyl 4-(3-formylphenyl)piperazine-1-carboxylate
CID 53402759

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,7-diformylcarbazole-9-carboxylate?
The IUPAC name of tert-butyl 2,7-diformylcarbazole-9-carboxylate (CID 10829746) is tert-butyl 2,7-diformylcarbazole-9-carboxylate.
What is the SMILES notation for tert-butyl 2,7-diformylcarbazole-9-carboxylate?
The canonical SMILES for tert-butyl 2,7-diformylcarbazole-9-carboxylate is CC(C)(C)OC(=O)n1c2cc(C=O)ccc2c2ccc(C=O)cc21.
What is the InChIKey of tert-butyl 2,7-diformylcarbazole-9-carboxylate?
The InChIKey is ALYVQSPAXFTERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-19(2,3)24-18(23)20-16-8-12(10-21)4-6-14(16)15-7-5-13(11-22)9-17(15)20/h4-11H,1-3H3.
What are the key properties of tert-butyl 2,7-diformylcarbazole-9-carboxylate?
tert-butyl 2,7-diformylcarbazole-9-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,7-diformylcarbazole-9-carboxylate is sourced from PubChem (CID 10829746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).