N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)

C54H48N4Pt — CID 140854145

About N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)

N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+) (PubChem CID 140854145) has the molecular formula C54H48N4Pt and a molecular weight of 948.08 g/mol. Its IUPAC name is N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)
• PubChem CID: 140854145
• Molecular Formula: C54H48N4Pt
• Molecular Weight: 948.08 g/mol
• Exact Mass: 947.35
• IUPAC Name: N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)
• SMILES: Cc1ccc2[n-]c3c(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5[c-]c(N(c6ccccn6)c6cccc7ccccc67)ccc5)n4)cc(C)cc3c2c1.[Pt+2]
• InChI: InChI=1S/C54H48N4.Pt/c1-34-22-23-47-44(25-34)45-26-35(2)27-46(52(45)57-47)49-32-39(38-28-40(53(3,4)5)33-41(29-38)54(6,7)8)31-48(56-49)37-17-13-18-42(30-37)58(51-21-11-12-24-55-51)50-20-14-16-36-15-9-10-19-43(36)50;/h9-29,31-33H,1-8H3;/q-2;+2
• InChIKey: ZFIMLINKJWVMTP-UHFFFAOYSA-N
• XLogP: 14.37
• TPSA: 43.12 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.08
LogP ≤ 5	14.37
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 N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)?

The IUPAC name of N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+) (CID 140854145) is N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+).

What is the SMILES notation for N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)?

The canonical SMILES for N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+) is Cc1ccc2[n-]c3c(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5[c-]c(N(c6ccccn6)c6cccc7ccccc67)ccc5)n4)cc(C)cc3c2c1.[Pt+2].

What is the InChIKey of N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)?

The InChIKey is ZFIMLINKJWVMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N4.Pt/c1-34-22-23-47-44(25-34)45-26-35(2)27-46(52(45)57-47)49-32-39(38-28-40(53(3,4)5)33-41(29-38)54(6,7)8)31-48(56-49)37-17-13-18-42(30-37)58(51-21-11-12-24-55-51)50-20-14-16-36-15-9-10-19-43(36)50;/h9-29,31-33H,1-8H3;/q-2;+2.

What are the key properties of N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)?

N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+) has a molecular weight of 948.08 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+) is sourced from PubChem (CID 140854145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).