6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)

C64H49F2N5OPt — CID 176642423

About 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)

6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) (PubChem CID 176642423) has the molecular formula C64H49F2N5OPt and a molecular weight of 1137.20 g/mol. Its IUPAC name is 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)
• PubChem CID: 176642423
• Molecular Formula: C64H49F2N5OPt
• Molecular Weight: 1137.20 g/mol
• Exact Mass: 1136.36
• IUPAC Name: 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)
• SMILES: Cc1ccc2[n-]c3c(-c4nc5c(-c6[c-]c7c(cc6)c6ccc(C(F)(F)c8ccccc8)cc6n7-c6ccccn6)cc(C(C)(C)C)cc5n4-c4ccc(C(C)(C)C)cc4)cc4c5ccccc5oc4c3c2c1.[Pt+2]
• InChI: InChI=1S/C64H49F2N5O.Pt/c1-37-20-29-51-49(31-37)57-59(68-51)50(36-48-46-17-11-12-18-55(46)72-60(48)57)61-69-58-47(33-42(63(5,6)7)35-54(58)70(61)43-25-22-39(23-26-43)62(2,3)4)38-21-27-44-45-28-24-41(64(65,66)40-15-9-8-10-16-40)34-53(45)71(52(44)32-38)56-19-13-14-30-67-56;/h8-31,33-36H,1-7H3;/q-2;+2
• InChIKey: DZQWOXKTTULIFB-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 62.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.20
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)?

The IUPAC name of 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) (CID 176642423) is 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+).

What is the SMILES notation for 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)?

The canonical SMILES for 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) is Cc1ccc2[n-]c3c(-c4nc5c(-c6[c-]c7c(cc6)c6ccc(C(F)(F)c8ccccc8)cc6n7-c6ccccn6)cc(C(C)(C)C)cc5n4-c4ccc(C(C)(C)C)cc4)cc4c5ccccc5oc4c3c2c1.[Pt+2].

What is the InChIKey of 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)?

The InChIKey is DZQWOXKTTULIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49F2N5O.Pt/c1-37-20-29-51-49(31-37)57-59(68-51)50(36-48-46-17-11-12-18-55(46)72-60(48)57)61-69-58-47(33-42(63(5,6)7)35-54(58)70(61)43-25-22-39(23-26-43)62(2,3)4)38-21-27-44-45-28-24-41(64(65,66)40-15-9-8-10-16-40)34-53(45)71(52(44)32-38)56-19-13-14-30-67-56;/h8-31,33-36H,1-7H3;/q-2;+2.

What are the key properties of 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)?

6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) has a molecular weight of 1137.20 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) is sourced from PubChem (CID 176642423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).