4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde

C34H28N2O6 — CID 164566322

IUPAC4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde
SMILESCOc1cc(-n2ccc3c(-c4cccc5c4ccn5-c4cc(OC)c(C=O)c(OC)c4)cccc32)cc(OC)c1C=O
InChIInChI=1S/C34H28N2O6/c1-39-31-15-21(16-32(40-2)27(31)19-37)35-13-11-25-23(7-5-9-29(25)35)24-8-6-10-30-26(24)12-14-36(30)22-17-33(41-3)28(20-38)34(18-22)42-4/h5-20H,1-4H3
InChIKeyADRXLUUHEQLPQD-UHFFFAOYSA-N
MW560.61 g/mol
LogP6.90
Rot. Bonds9

About 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde

4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde (PubChem CID 164566322) has the molecular formula C34H28N2O6 and a molecular weight of 560.61 g/mol. Its IUPAC name is 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde
PubChem CID164566322
Molecular FormulaC34H28N2O6
Molecular Weight560.61 g/mol
Exact Mass560.19
IUPAC Name4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde
SMILESCOc1cc(-n2ccc3c(-c4cccc5c4ccn5-c4cc(OC)c(C=O)c(OC)c4)cccc32)cc(OC)c1C=O
InChIInChI=1S/C34H28N2O6/c1-39-31-15-21(16-32(40-2)27(31)19-37)35-13-11-25-23(7-5-9-29(25)35)24-8-6-10-30-26(24)12-14-36(30)22-17-33(41-3)28(20-38)34(18-22)42-4/h5-20H,1-4H3
InChIKeyADRXLUUHEQLPQD-UHFFFAOYSA-N
XLogP6.90
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-3-methoxypyridine-2-carbaldehyde
CID 164566427
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate
CID 178035446
1-bis(phosphanyl)phosphanyl-5-methoxy-7-methylindole-4-carbaldehyde
CID 158472162
2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
CID 91083738
4-(4-methylindol-1-yl)benzaldehyde
CID 139851762
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
CID 146519174
(2R,4R)-1-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-2,6-dimethoxyphenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 164566211
1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde
CID 86618256
2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde
CID 11550926
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
4-(3-methyl-2-nitrophenyl)-1-phenylindole
CID 135264974

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde?
The IUPAC name of 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde (CID 164566322) is 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde.
What is the SMILES notation for 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde?
The canonical SMILES for 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde is COc1cc(-n2ccc3c(-c4cccc5c4ccn5-c4cc(OC)c(C=O)c(OC)c4)cccc32)cc(OC)c1C=O.
What is the InChIKey of 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde?
The InChIKey is ADRXLUUHEQLPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O6/c1-39-31-15-21(16-32(40-2)27(31)19-37)35-13-11-25-23(7-5-9-29(25)35)24-8-6-10-30-26(24)12-14-36(30)22-17-33(41-3)28(20-38)34(18-22)42-4/h5-20H,1-4H3.
What are the key properties of 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde?
4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde has a molecular weight of 560.61 g/mol, XLogP of 6.90, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde is sourced from PubChem (CID 164566322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).