1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+)

C62H56N4Pt — CID 176643256

About 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+)

1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+) (PubChem CID 176643256) has the molecular formula C62H56N4Pt and a molecular weight of 1052.24 g/mol. Its IUPAC name is 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+).

Molecular Properties

• Compound Name: 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+)
• PubChem CID: 176643256
• Molecular Formula: C62H56N4Pt
• Molecular Weight: 1052.24 g/mol
• Exact Mass: 1051.42
• IUPAC Name: 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+)
• SMILES: CC(C)c1ccnc(C2(c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccc(C(C)C)c(C(C)C)c4)cc(C(C)(C)C)c3)c3ccccc3-c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C62H56N4.Pt/c1-37(2)40-30-31-63-57(34-40)62(53-24-13-10-18-47(53)48-19-11-14-25-54(48)62)43-33-41(32-42(35-43)61(7,8)9)46-21-17-27-56-59(46)65-60(66(56)44-28-29-45(38(3)4)52(36-44)39(5)6)51-23-16-22-50-49-20-12-15-26-55(49)64-58(50)51;/h10-32,34-39H,1-9H3;/q-2;+2
• InChIKey: TZVCJNDHEJKVFB-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 44.81 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.24
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+)?

The IUPAC name of 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+) (CID 176643256) is 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+).

What is the SMILES notation for 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+)?

The canonical SMILES for 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+) is CC(C)c1ccnc(C2(c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccc(C(C)C)c(C(C)C)c4)cc(C(C)(C)C)c3)c3ccccc3-c3ccccc32)c1.[Pt+2].

What is the InChIKey of 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+)?

The InChIKey is TZVCJNDHEJKVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N4.Pt/c1-37(2)40-30-31-63-57(34-40)62(53-24-13-10-18-47(53)48-19-11-14-25-54(48)62)43-33-41(32-42(35-43)61(7,8)9)46-21-17-27-56-59(46)65-60(66(56)44-28-29-45(38(3)4)52(36-44)39(5)6)51-23-16-22-50-49-20-12-15-26-55(49)64-58(50)51;/h10-32,34-39H,1-9H3;/q-2;+2.

What are the key properties of 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+)?

1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+) has a molecular weight of 1052.24 g/mol, XLogP of 15.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-tert-butyl-5-[9-(4-propan-2-yl-2-pyridinyl)fluoren-9-yl]benzene-6-id-1-yl]-1-[3,4-di(propan-2-yl)phenyl]benzimidazol-2-yl]carbazol-9-ide;platinum(2+) is sourced from PubChem (CID 176643256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).