2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C65H53F2N4Pt-3 — CID 162704661

IUPAC2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCC1(C)CCCC(C)(C)C1(c1ccccc1)c1ccnc(-n2c3[c-]c(C(F)(F)c4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C65H53F2N4.Pt/c1-62(2)38-20-39-63(3,4)64(62,47-25-12-7-13-26-47)48-37-40-68-60(43-48)71-56-32-15-14-29-54(56)55-36-35-50(42-59(55)71)65(66,67)49-27-18-28-51(41-49)69-44-70(58-34-17-16-33-57(58)69)61-52(45-21-8-5-9-22-45)30-19-31-53(61)46-23-10-6-11-24-46;/h5-19,21-37,40,43-44H,20,38-39H2,1-4H3;/q-3;
InChIKeyLMKNJELFEFXHCA-UHFFFAOYSA-N
MW1123.24 g/mol
LogP17.18
Rot. Bonds9

About 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704661) has the molecular formula C65H53F2N4Pt-3 and a molecular weight of 1123.24 g/mol. Its IUPAC name is 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID162704661
Molecular FormulaC65H53F2N4Pt-3
Molecular Weight1123.24 g/mol
Exact Mass1122.39
IUPAC Name2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCC1(C)CCCC(C)(C)C1(c1ccccc1)c1ccnc(-n2c3[c-]c(C(F)(F)c4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C65H53F2N4.Pt/c1-62(2)38-20-39-63(3,4)64(62,47-25-12-7-13-26-47)48-37-40-68-60(43-48)71-56-32-15-14-29-54(56)55-36-35-50(42-59(55)71)65(66,67)49-27-18-28-51(41-49)69-44-70(58-34-17-16-33-57(58)69)61-52(45-21-8-5-9-22-45)30-19-31-53(61)46-23-10-6-11-24-46;/h5-19,21-37,40,43-44H,20,38-39H2,1-4H3;/q-3;
InChIKeyLMKNJELFEFXHCA-UHFFFAOYSA-N
XLogP17.18
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.24
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162704661) is 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC1(C)CCCC(C)(C)C1(c1ccccc1)c1ccnc(-n2c3[c-]c(C(F)(F)c4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is LMKNJELFEFXHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53F2N4.Pt/c1-62(2)38-20-39-63(3,4)64(62,47-25-12-7-13-26-47)48-37-40-68-60(43-48)71-56-32-15-14-29-54(56)55-36-35-50(42-59(55)71)65(66,67)49-27-18-28-51(41-49)69-44-70(58-34-17-16-33-57(58)69)61-52(45-21-8-5-9-22-45)30-19-31-53(61)46-23-10-6-11-24-46;/h5-19,21-37,40,43-44H,20,38-39H2,1-4H3;/q-3;.
What are the key properties of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1123.24 g/mol, XLogP of 17.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).