1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde

C125H104FN9O12 — CID 159110406

IUPAC1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde
SMILESCCn1ccc2cc(C=O)ccc21.COc1ccc(Cn2ccc3cc(C=O)ccc32)cc1.Cc1ccc(Cn2ccc3cc(C=O)ccc32)cc1.Cn1ccc2cc(C=O)ccc21.O=Cc1ccc2[nH]ccc2c1.O=Cc1ccc2c(ccn2-c2ccc(F)cc2)c1.O=Cc1ccc2c(ccn2-c2ccccc2)c1.O=Cc1ccc2c(ccn2C(=O)C2CCCC2)c1.O=Cc1ccc2c(ccn2C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15NO2.C17H15NO.C16H11NO2.C15H10FNO.C15H15NO2.C15H11NO.C11H11NO.C10H9NO.C9H7NO/c1-20-16-5-2-13(3-6-16)11-18-9-8-15-10-14(12-19)4-7-17(15)18;1-13-2-4-14(5-3-13)11-18-9-8-16-10-15(12-19)6-7-17(16)18;18-11-12-6-7-15-14(10-12)8-9-17(15)16(19)13-4-2-1-3-5-13;16-13-2-4-14(5-3-13)17-8-7-12-9-11(10-18)1-6-15(12)17;17-10-11-5-6-14-13(9-11)7-8-16(14)15(18)12-3-1-2-4-12;17-11-12-6-7-15-13(10-12)8-9-16(15)14-4-2-1-3-5-14;1-2-12-6-5-10-7-9(8-13)3-4-11(10)12;1-11-5-4-9-6-8(7-12)2-3-10(9)11;11-6-7-1-2-9-8(5-7)3-4-10-9/h2-10,12H,11H2,1H3;2-10,12H,11H2,1H3;1-11H;1-10H;5-10,12H,1-4H2;1-11H;3-8H,2H2,1H3;2-7H,1H3;1-6,10H
InChIKeyKEKMLLANDMKIEX-UHFFFAOYSA-N
MW1943.26 g/mol
LogP27.22
Rot. Bonds19

About 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde

1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde (PubChem CID 159110406) has the molecular formula C125H104FN9O12 and a molecular weight of 1943.26 g/mol. Its IUPAC name is 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde.

Molecular Properties

Compound Name1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde
PubChem CID159110406
Molecular FormulaC125H104FN9O12
Molecular Weight1943.26 g/mol
Exact Mass1941.78
IUPAC Name1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde
SMILESCCn1ccc2cc(C=O)ccc21.COc1ccc(Cn2ccc3cc(C=O)ccc32)cc1.Cc1ccc(Cn2ccc3cc(C=O)ccc32)cc1.Cn1ccc2cc(C=O)ccc21.O=Cc1ccc2[nH]ccc2c1.O=Cc1ccc2c(ccn2-c2ccc(F)cc2)c1.O=Cc1ccc2c(ccn2-c2ccccc2)c1.O=Cc1ccc2c(ccn2C(=O)C2CCCC2)c1.O=Cc1ccc2c(ccn2C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15NO2.C17H15NO.C16H11NO2.C15H10FNO.C15H15NO2.C15H11NO.C11H11NO.C10H9NO.C9H7NO/c1-20-16-5-2-13(3-6-16)11-18-9-8-15-10-14(12-19)4-7-17(15)18;1-13-2-4-14(5-3-13)11-18-9-8-16-10-15(12-19)6-7-17(16)18;18-11-12-6-7-15-14(10-12)8-9-17(15)16(19)13-4-2-1-3-5-13;16-13-2-4-14(5-3-13)17-8-7-12-9-11(10-18)1-6-15(12)17;17-10-11-5-6-14-13(9-11)7-8-16(14)15(18)12-3-1-2-4-12;17-11-12-6-7-15-13(10-12)8-9-16(15)14-4-2-1-3-5-14;1-2-12-6-5-10-7-9(8-13)3-4-11(10)12;1-11-5-4-9-6-8(7-12)2-3-10(9)11;11-6-7-1-2-9-8(5-7)3-4-10-9/h2-10,12H,11H2,1H3;2-10,12H,11H2,1H3;1-11H;1-10H;5-10,12H,1-4H2;1-11H;3-8H,2H2,1H3;2-7H,1H3;1-6,10H
InChIKeyKEKMLLANDMKIEX-UHFFFAOYSA-N
XLogP27.22
TPSA252.23 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.26
LogP ≤ 527.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde?
The IUPAC name of 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde (CID 159110406) is 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde.
What is the SMILES notation for 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde?
The canonical SMILES for 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde is CCn1ccc2cc(C=O)ccc21.COc1ccc(Cn2ccc3cc(C=O)ccc32)cc1.Cc1ccc(Cn2ccc3cc(C=O)ccc32)cc1.Cn1ccc2cc(C=O)ccc21.O=Cc1ccc2[nH]ccc2c1.O=Cc1ccc2c(ccn2-c2ccc(F)cc2)c1.O=Cc1ccc2c(ccn2-c2ccccc2)c1.O=Cc1ccc2c(ccn2C(=O)C2CCCC2)c1.O=Cc1ccc2c(ccn2C(=O)c2ccccc2)c1.
What is the InChIKey of 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde?
The InChIKey is KEKMLLANDMKIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2.C17H15NO.C16H11NO2.C15H10FNO.C15H15NO2.C15H11NO.C11H11NO.C10H9NO.C9H7NO/c1-20-16-5-2-13(3-6-16)11-18-9-8-15-10-14(12-19)4-7-17(15)18;1-13-2-4-14(5-3-13)11-18-9-8-16-10-15(12-19)6-7-17(16)18;18-11-12-6-7-15-14(10-12)8-9-17(15)16(19)13-4-2-1-3-5-13;16-13-2-4-14(5-3-13)17-8-7-12-9-11(10-18)1-6-15(12)17;17-10-11-5-6-14-13(9-11)7-8-16(14)15(18)12-3-1-2-4-12;17-11-12-6-7-15-13(10-12)8-9-16(15)14-4-2-1-3-5-14;1-2-12-6-5-10-7-9(8-13)3-4-11(10)12;1-11-5-4-9-6-8(7-12)2-3-10(9)11;11-6-7-1-2-9-8(5-7)3-4-10-9/h2-10,12H,11H2,1H3;2-10,12H,11H2,1H3;1-11H;1-10H;5-10,12H,1-4H2;1-11H;3-8H,2H2,1H3;2-7H,1H3;1-6,10H.
What are the key properties of 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde?
1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde has a molecular weight of 1943.26 g/mol, XLogP of 27.22, 19 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylindole-5-carbaldehyde;1-(cyclopentanecarbonyl)indole-5-carbaldehyde;1-ethylindole-5-carbaldehyde;1-(4-fluorophenyl)indole-5-carbaldehyde;1H-indole-5-carbaldehyde;1-[(4-methoxyphenyl)methyl]indole-5-carbaldehyde;1-methylindole-5-carbaldehyde;1-[(4-methylphenyl)methyl]indole-5-carbaldehyde;1-phenylindole-5-carbaldehyde is sourced from PubChem (CID 159110406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).