4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde

C34H32O6 — CID 59611719

IUPAC4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde
SMILESCOc1ccc(C2c3c(OC)cc(OC)cc3C3C(c4ccc(C=O)cc4)c4c(OC)cc(OC)cc4C23)cc1
InChIInChI=1S/C34H32O6/c1-36-22-12-10-21(11-13-22)30-32-26(15-24(38-3)17-28(32)40-5)33-29(20-8-6-19(18-35)7-9-20)31-25(34(30)33)14-23(37-2)16-27(31)39-4/h6-18,29-30,33-34H,1-5H3
InChIKeyAJDCHTSJURXIDB-UHFFFAOYSA-N
MW536.62 g/mol
LogP6.70
Rot. Bonds8

About 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde

4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde (PubChem CID 59611719) has the molecular formula C34H32O6 and a molecular weight of 536.62 g/mol. Its IUPAC name is 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde.

Molecular Properties

Compound Name4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde
PubChem CID59611719
Molecular FormulaC34H32O6
Molecular Weight536.62 g/mol
Exact Mass536.22
IUPAC Name4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde
SMILESCOc1ccc(C2c3c(OC)cc(OC)cc3C3C(c4ccc(C=O)cc4)c4c(OC)cc(OC)cc4C23)cc1
InChIInChI=1S/C34H32O6/c1-36-22-12-10-21(11-13-22)30-32-26(15-24(38-3)17-28(32)40-5)33-29(20-8-6-19(18-35)7-9-20)31-25(34(30)33)14-23(37-2)16-27(31)39-4/h6-18,29-30,33-34H,1-5H3
InChIKeyAJDCHTSJURXIDB-UHFFFAOYSA-N
XLogP6.70
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde?
The IUPAC name of 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde (CID 59611719) is 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde.
What is the SMILES notation for 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde?
The canonical SMILES for 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde is COc1ccc(C2c3c(OC)cc(OC)cc3C3C(c4ccc(C=O)cc4)c4c(OC)cc(OC)cc4C23)cc1.
What is the InChIKey of 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde?
The InChIKey is AJDCHTSJURXIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O6/c1-36-22-12-10-21(11-13-22)30-32-26(15-24(38-3)17-28(32)40-5)33-29(20-8-6-19(18-35)7-9-20)31-25(34(30)33)14-23(37-2)16-27(31)39-4/h6-18,29-30,33-34H,1-5H3.
What are the key properties of 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde?
4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde has a molecular weight of 536.62 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde is sourced from PubChem (CID 59611719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).