N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum

C73H74N5Pt-3 — CID 162448816

About N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum

N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum (PubChem CID 162448816) has the molecular formula C73H74N5Pt-3 and a molecular weight of 1216.51 g/mol. Its IUPAC name is N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

• Compound Name: N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum
• PubChem CID: 162448816
• Molecular Formula: C73H74N5Pt-3
• Molecular Weight: 1216.51 g/mol
• Exact Mass: 1215.56
• IUPAC Name: N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum
• SMILES: CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(N(c4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccn4)c4ccccc4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C73H74N5.Pt/c1-69(2,3)52-39-53(70(4,5)6)42-56(41-52)73(13,14)51-36-37-74-68(45-51)78-64-35-32-50(49-24-17-15-18-25-49)38-63(64)62-34-33-60(47-67(62)78)77(57-26-19-16-20-27-57)59-29-23-28-58(46-59)75-48-76(66-31-22-21-30-65(66)75)61-43-54(71(7,8)9)40-55(44-61)72(10,11)12;/h15-45,48H,1-14H3;/q-3
• InChIKey: VVDJEPXKNVTPHI-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1216.51
LogP ≤ 5	19.84
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 N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum?

The IUPAC name of N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum (CID 162448816) is N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum.

What is the SMILES notation for N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum?

The canonical SMILES for N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum is CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(N(c4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccn4)c4ccccc4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum?

The InChIKey is VVDJEPXKNVTPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H74N5.Pt/c1-69(2,3)52-39-53(70(4,5)6)42-56(41-52)73(13,14)51-36-37-74-68(45-51)78-64-35-32-50(49-24-17-15-18-25-49)38-63(64)62-34-33-60(47-67(62)78)77(57-26-19-16-20-27-57)59-29-23-28-58(46-59)75-48-76(66-31-22-21-30-65(66)75)61-43-54(71(7,8)9)40-55(44-61)72(10,11)12;/h15-45,48H,1-14H3;/q-3;.

What are the key properties of N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum?

N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 1216.51 g/mol, XLogP of 19.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 162448816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).