9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)

C57H42F3N5OPt — CID 176643066

IUPAC9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)
SMILESCC(C)(C)c1cccc(-n2c(-c3cccc4c3[n-]c3cccc(C(C)(C)C)c34)nc3c(-c4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(F)(F)F)ccn4)oc4ccccc46)cccc32)c1.[Pt+2]
InChIInChI=1S/C57H42F3N5O.Pt/c1-55(2,3)33-13-9-14-35(28-33)64-45-21-11-16-36(53(45)63-54(64)40-18-10-17-39-51-43(56(4,5)6)19-12-20-44(51)62-52(39)40)32-23-24-37-41-30-42-38-15-7-8-22-48(38)66-49(42)31-47(41)65(46(37)27-32)50-29-34(25-26-61-50)57(58,59)60;/h7-26,28-31H,1-6H3;/q-2;+2
InChIKeyONLBSZBCMHBDRR-UHFFFAOYSA-N
MW1065.07 g/mol
LogP15.43
Rot. Bonds4

About 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)

9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) (PubChem CID 176643066) has the molecular formula C57H42F3N5OPt and a molecular weight of 1065.07 g/mol. Its IUPAC name is 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+).

Molecular Properties

Compound Name9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)
PubChem CID176643066
Molecular FormulaC57H42F3N5OPt
Molecular Weight1065.07 g/mol
Exact Mass1064.30
IUPAC Name9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)
SMILESCC(C)(C)c1cccc(-n2c(-c3cccc4c3[n-]c3cccc(C(C)(C)C)c34)nc3c(-c4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(F)(F)F)ccn4)oc4ccccc46)cccc32)c1.[Pt+2]
InChIInChI=1S/C57H42F3N5O.Pt/c1-55(2,3)33-13-9-14-35(28-33)64-45-21-11-16-36(53(45)63-54(64)40-18-10-17-39-51-43(56(4,5)6)19-12-20-44(51)62-52(39)40)32-23-24-37-41-30-42-38-15-7-8-22-48(38)66-49(42)31-47(41)65(46(37)27-32)50-29-34(25-26-61-50)57(58,59)60;/h7-26,28-31H,1-6H3;/q-2;+2
InChIKeyONLBSZBCMHBDRR-UHFFFAOYSA-N
XLogP15.43
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.07
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)?
The IUPAC name of 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) (CID 176643066) is 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+).
What is the SMILES notation for 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)?
The canonical SMILES for 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) is CC(C)(C)c1cccc(-n2c(-c3cccc4c3[n-]c3cccc(C(C)(C)C)c34)nc3c(-c4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(F)(F)F)ccn4)oc4ccccc46)cccc32)c1.[Pt+2].
What is the InChIKey of 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)?
The InChIKey is ONLBSZBCMHBDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42F3N5O.Pt/c1-55(2,3)33-13-9-14-35(28-33)64-45-21-11-16-36(53(45)63-54(64)40-18-10-17-39-51-43(56(4,5)6)19-12-20-44(51)62-52(39)40)32-23-24-37-41-30-42-38-15-7-8-22-48(38)66-49(42)31-47(41)65(46(37)27-32)50-29-34(25-26-61-50)57(58,59)60;/h7-26,28-31H,1-6H3;/q-2;+2.
What are the key properties of 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)?
9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) has a molecular weight of 1065.07 g/mol, XLogP of 15.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(5-tert-butylcarbazol-9-id-1-yl)-1-(3-tert-butylphenyl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) is sourced from PubChem (CID 176643066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).