2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)

C56H35F2N5Pt — CID 176642581

IUPAC2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(-c4ccccc4)c(C(F)(F)c4ccccc4)cc32)c1.[Pt+2]
InChIInChI=1S/C56H35F2N5.Pt/c1-35-29-30-59-52(31-35)63-50-32-37(27-28-42(50)46-33-45(36-15-5-2-6-16-36)47(34-51(46)63)56(57,58)38-17-7-3-8-18-38)40-22-14-26-49-54(40)61-55(62(49)39-19-9-4-10-20-39)44-24-13-23-43-41-21-11-12-25-48(41)60-53(43)44;/h2-31,33-34H,1H3;/q-2;+2
InChIKeyKXOZSSDBZMRDMG-UHFFFAOYSA-N
MW1011.01 g/mol
LogP14.03
Rot. Bonds7

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642581) has the molecular formula C56H35F2N5Pt and a molecular weight of 1011.01 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)
PubChem CID176642581
Molecular FormulaC56H35F2N5Pt
Molecular Weight1011.01 g/mol
Exact Mass1010.25
IUPAC Name2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(-c4ccccc4)c(C(F)(F)c4ccccc4)cc32)c1.[Pt+2]
InChIInChI=1S/C56H35F2N5.Pt/c1-35-29-30-59-52(31-35)63-50-32-37(27-28-42(50)46-33-45(36-15-5-2-6-16-36)47(34-51(46)63)56(57,58)38-17-7-3-8-18-38)40-22-14-26-49-54(40)61-55(62(49)39-19-9-4-10-20-39)44-24-13-23-43-41-21-11-12-25-48(41)60-53(43)44;/h2-31,33-34H,1H3;/q-2;+2
InChIKeyKXOZSSDBZMRDMG-UHFFFAOYSA-N
XLogP14.03
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.01
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) (CID 176642581) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(-c4ccccc4)c(C(F)(F)c4ccccc4)cc32)c1.[Pt+2].
What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is KXOZSSDBZMRDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35F2N5.Pt/c1-35-29-30-59-52(31-35)63-50-32-37(27-28-42(50)46-33-45(36-15-5-2-6-16-36)47(34-51(46)63)56(57,58)38-17-7-3-8-18-38)40-22-14-26-49-54(40)61-55(62(49)39-19-9-4-10-20-39)44-24-13-23-43-41-21-11-12-25-48(41)60-53(43)44;/h2-31,33-34H,1H3;/q-2;+2.
What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+)?
2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1011.01 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-(4-methyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).