1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde

C28H20N2O2 — CID 23282236

IUPAC1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde
SMILESCC(c1cc(C=O)cc2c1[nH]c1ccccc12)c1cc(C=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C28H20N2O2/c1-16(21-10-17(14-31)12-23-19-6-2-4-8-25(19)29-27(21)23)22-11-18(15-32)13-24-20-7-3-5-9-26(20)30-28(22)24/h2-16,29-30H,1H3
InChIKeyRHIABJXMAFWNMJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP6.73
Rot. Bonds4

About 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde

1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde (PubChem CID 23282236) has the molecular formula C28H20N2O2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde
PubChem CID23282236
Molecular FormulaC28H20N2O2
Molecular Weight416.48 g/mol
Exact Mass416.15
IUPAC Name1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde
SMILESCC(c1cc(C=O)cc2c1[nH]c1ccccc12)c1cc(C=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C28H20N2O2/c1-16(21-10-17(14-31)12-23-19-6-2-4-8-25(19)29-27(21)23)22-11-18(15-32)13-24-20-7-3-5-9-26(20)30-28(22)24/h2-16,29-30H,1H3
InChIKeyRHIABJXMAFWNMJ-UHFFFAOYSA-N
XLogP6.73
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde?
The IUPAC name of 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde (CID 23282236) is 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde is CC(c1cc(C=O)cc2c1[nH]c1ccccc12)c1cc(C=O)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde?
The InChIKey is RHIABJXMAFWNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O2/c1-16(21-10-17(14-31)12-23-19-6-2-4-8-25(19)29-27(21)23)22-11-18(15-32)13-24-20-7-3-5-9-26(20)30-28(22)24/h2-16,29-30H,1H3.
What are the key properties of 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde?
1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde has a molecular weight of 416.48 g/mol, XLogP of 6.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 23282236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).