4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum

C42H37N4OPt- — CID 164823548

About 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum

4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum (PubChem CID 164823548) has the molecular formula C42H37N4OPt- and a molecular weight of 808.86 g/mol. Its IUPAC name is 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum
• PubChem CID: 164823548
• Molecular Formula: C42H37N4OPt-
• Molecular Weight: 808.86 g/mol
• Exact Mass: 808.26
• IUPAC Name: 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(O)c(-c2ccc3c4ccccc4n(-c4[c-]c5c(c(C(C)(C)C)c4)c4ccccc4n5-c4ccccn4)c3n2)c1.[Pt]
• InChI: InChI=1S/C42H37N4O.Pt/c1-41(2,3)26-18-21-37(47)31(23-26)33-20-19-29-28-13-7-9-15-34(28)45(40(29)44-33)27-24-32(42(4,5)6)39-30-14-8-10-16-35(30)46(36(39)25-27)38-17-11-12-22-43-38;/h7-24,47H,1-6H3;/q-1
• InChIKey: FKRMVXHLDGNAOW-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.86
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	1
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 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum (CID 164823548) is 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum is CC(C)(C)c1ccc(O)c(-c2ccc3c4ccccc4n(-c4[c-]c5c(c(C(C)(C)C)c4)c4ccccc4n5-c4ccccn4)c3n2)c1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum?

The InChIKey is FKRMVXHLDGNAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N4O.Pt/c1-41(2,3)26-18-21-37(47)31(23-26)33-20-19-29-28-13-7-9-15-34(28)45(40(29)44-33)27-24-32(42(4,5)6)39-30-14-8-10-16-35(30)46(36(39)25-27)38-17-11-12-22-43-38;/h7-24,47H,1-6H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum?

4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum has a molecular weight of 808.86 g/mol, XLogP of 10.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum is sourced from PubChem (CID 164823548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).