5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum

C56H52N5OPt-3 — CID 162772023

About 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum

5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum (PubChem CID 162772023) has the molecular formula C56H52N5OPt-3 and a molecular weight of 1006.14 g/mol. Its IUPAC name is 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum.

Molecular Properties

• Compound Name: 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum
• PubChem CID: 162772023
• Molecular Formula: C56H52N5OPt-3
• Molecular Weight: 1006.14 g/mol
• Exact Mass: 1005.38
• IUPAC Name: 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum
• SMILES: CC(C)c1cc(C(C)C)c(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)[c-]c(N3[CH-]n4c(nc5ccccc54)-c4ccccc43)c2)c(C(C)C)c1.[Pt]
• InChI: InChI=1S/C56H52N5O.Pt/c1-34(2)37-28-46(35(3)4)54(47(29-37)36(5)6)38-26-40(59-33-60-51-21-15-12-18-48(51)58-55(60)45-17-11-13-19-49(45)59)31-42(27-38)62-41-22-23-44-43-16-10-14-20-50(43)61(52(44)32-41)53-30-39(24-25-57-53)56(7,8)9;/h10-30,33-36H,1-9H3;/q-3
• InChIKey: AZUAHOMAMSPYBJ-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.14
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum?

The IUPAC name of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum (CID 162772023) is 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum.

What is the SMILES notation for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum?

The canonical SMILES for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum is CC(C)c1cc(C(C)C)c(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)[c-]c(N3[CH-]n4c(nc5ccccc54)-c4ccccc43)c2)c(C(C)C)c1.[Pt].

What is the InChIKey of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum?

The InChIKey is AZUAHOMAMSPYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N5O.Pt/c1-34(2)37-28-46(35(3)4)54(47(29-37)36(5)6)38-26-40(59-33-60-51-21-15-12-18-48(51)58-55(60)45-17-11-13-19-49(45)59)31-42(27-38)62-41-22-23-44-43-16-10-14-20-50(43)61(52(44)32-41)53-30-39(24-25-57-53)56(7,8)9;/h10-30,33-36H,1-9H3;/q-3;.

What are the key properties of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum?

5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum has a molecular weight of 1006.14 g/mol, XLogP of 15.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide;platinum is sourced from PubChem (CID 162772023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).