3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+)

C54H41N5Pt — CID 176643444

About 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+)

3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+) (PubChem CID 176643444) has the molecular formula C54H41N5Pt and a molecular weight of 955.04 g/mol. Its IUPAC name is 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+)
• PubChem CID: 176643444
• Molecular Formula: C54H41N5Pt
• Molecular Weight: 955.04 g/mol
• Exact Mass: 954.30
• IUPAC Name: 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+)
• SMILES: CC(C)(c1ccccc1)c1ccnc(N2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3C(C)(C)c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C54H41N5.Pt/c1-53(2,36-17-7-5-8-18-36)37-31-32-55-49(34-37)59-46-27-14-12-25-43(46)54(3,4)44-30-29-35(33-48(44)59)39-22-16-28-47-51(39)57-52(58(47)38-19-9-6-10-20-38)42-24-15-23-41-40-21-11-13-26-45(40)56-50(41)42;/h5-32,34H,1-4H3;/q-2;+2
• InChIKey: OAFRRHNLZKRQHR-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 48.05 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.04
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+)?

The IUPAC name of 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+) (CID 176643444) is 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+).

What is the SMILES notation for 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+)?

The canonical SMILES for 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+) is CC(C)(c1ccccc1)c1ccnc(N2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3C(C)(C)c3ccccc32)c1.[Pt+2].

What is the InChIKey of 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+)?

The InChIKey is OAFRRHNLZKRQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N5.Pt/c1-53(2,36-17-7-5-8-18-36)37-31-32-55-49(34-37)59-46-27-14-12-25-43(46)54(3,4)44-30-29-35(33-48(44)59)39-22-16-28-47-51(39)57-52(58(47)38-19-9-6-10-20-38)42-24-15-23-41-40-21-11-13-26-45(40)56-50(41)42;/h5-32,34H,1-4H3;/q-2;+2.

What are the key properties of 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+)?

3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+) has a molecular weight of 955.04 g/mol, XLogP of 13.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9,9-dimethyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-4H-acridin-4-ide;platinum(2+) is sourced from PubChem (CID 176643444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).