[2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum

C29H26N3O4Pt- — CID 58401452

About [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum

[2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum (PubChem CID 58401452) has the molecular formula C29H26N3O4Pt- and a molecular weight of 675.62 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

• Compound Name: [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
• PubChem CID: 58401452
• Molecular Formula: C29H26N3O4Pt-
• Molecular Weight: 675.62 g/mol
• Exact Mass: 675.16
• IUPAC Name: [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
• SMILES: CC(=O)/C=C(/C)O.OCc1ccnc(-c2[c-]cc(-n3c4ccccc4c4ncccc43)cc2CO)c1.[Pt]
• InChI: InChI=1S/C24H18N3O2.C5H8O2.Pt/c28-14-16-9-11-25-21(12-16)19-8-7-18(13-17(19)15-29)27-22-5-2-1-4-20(22)24-23(27)6-3-10-26-24;1-4(6)3-5(2)7;/h1-7,9-13,28-29H,14-15H2;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: WXRCTYQSENMXEU-LWFKIUJUSA-N
• XLogP: 5.06
• TPSA: 108.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.62
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The IUPAC name of [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum (CID 58401452) is [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum.

What is the SMILES notation for [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The canonical SMILES for [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum is CC(=O)/C=C(/C)O.OCc1ccnc(-c2[c-]cc(-n3c4ccccc4c4ncccc43)cc2CO)c1.[Pt].

What is the InChIKey of [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The InChIKey is WXRCTYQSENMXEU-LWFKIUJUSA-N. The full InChI is InChI=1S/C24H18N3O2.C5H8O2.Pt/c28-14-16-9-11-25-21(12-16)19-8-7-18(13-17(19)15-29)27-22-5-2-1-4-20(22)24-23(27)6-3-10-26-24;1-4(6)3-5(2)7;/h1-7,9-13,28-29H,14-15H2;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

[2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 675.62 g/mol, XLogP of 5.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(hydroxymethyl)-4-pyrido[3,2-b]indol-5-ylbenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 58401452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).