acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde

C65H78N6O2 — CID 142879010

About acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde

acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde (PubChem CID 142879010) has the molecular formula C65H78N6O2 and a molecular weight of 975.38 g/mol. Its IUPAC name is acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde.

Molecular Properties

• Compound Name: acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde
• PubChem CID: 142879010
• Molecular Formula: C65H78N6O2
• Molecular Weight: 975.38 g/mol
• Exact Mass: 974.62
• IUPAC Name: acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde
• SMILES: C/C=c1\c(=C/CC)[nH]c2ccc(CN3CCC4(CC3)CC(C)c3ccccc34)cc12.C=O.CC=O.CCc1ccncc1.CNC1CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c2ccccc21
• InChI: InChI=1S/C28H34N2.C27H29N3.C7H9N.C2H4O.CH2O/c1-4-8-26-22(5-2)24-17-21(11-12-27(24)29-26)19-30-15-13-28(14-16-30)18-20(3)23-9-6-7-10-25(23)28;1-28-26-17-27(23-8-4-2-7-21(23)26)12-14-30(15-13-27)18-19-10-11-25-22(16-19)20-6-3-5-9-24(20)29-25;1-2-7-3-5-8-6-4-7;1-2-3;1-2/h5-12,17,20,29H,4,13-16,18-19H2,1-3H3;2-11,16,26,28-29H,12-15,17-18H2,1H3;3-6H,2H2,1H3;2H,1H3;1H2/b22-5-,26-8+
• InChIKey: CKYOQGBSGVFKJB-PMBILBGPSA-N
• XLogP: 12.38
• TPSA: 97.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.38
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde?

The IUPAC name of acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde (CID 142879010) is acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde.

What is the SMILES notation for acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde?

The canonical SMILES for acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde is C/C=c1\c(=C/CC)[nH]c2ccc(CN3CCC4(CC3)CC(C)c3ccccc34)cc12.C=O.CC=O.CCc1ccncc1.CNC1CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c2ccccc21.

What is the InChIKey of acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde?

The InChIKey is CKYOQGBSGVFKJB-PMBILBGPSA-N. The full InChI is InChI=1S/C28H34N2.C27H29N3.C7H9N.C2H4O.CH2O/c1-4-8-26-22(5-2)24-17-21(11-12-27(24)29-26)19-30-15-13-28(14-16-30)18-20(3)23-9-6-7-10-25(23)28;1-28-26-17-27(23-8-4-2-7-21(23)26)12-14-30(15-13-27)18-19-10-11-25-22(16-19)20-6-3-5-9-24(20)29-25;1-2-7-3-5-8-6-4-7;1-2-3;1-2/h5-12,17,20,29H,4,13-16,18-19H2,1-3H3;2-11,16,26,28-29H,12-15,17-18H2,1H3;3-6H,2H2,1H3;2H,1H3;1H2/b22-5-,26-8+;;;;.

What are the key properties of acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde?

acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde has a molecular weight of 975.38 g/mol, XLogP of 12.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;1'-(9H-carbazol-3-ylmethyl)-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;1'-[[(2E,3Z)-3-ethylidene-2-propylidene-1H-indol-5-yl]methyl]-1-methylspiro[1,2-dihydroindene-3,4'-piperidine];4-ethylpyridine;formaldehyde is sourced from PubChem (CID 142879010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).