10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum

C68H53N6OPt-3 — CID 169288905

IUPAC10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum
SMILESCc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1c(N2c3ccccc3C(C)(C)c3ccccc32)cccc1N1c2ccccc2C(C)(C)c2ccccc21.[Pt]
InChIInChI=1S/C68H53N6O.Pt/c1-44-39-65(74-55-28-12-7-23-48(55)49-38-37-47(41-64(49)74)75-46-22-19-21-45(40-46)71-43-70(6)60-33-17-18-34-61(60)71)69-42-50(44)66-62(72-56-29-13-8-24-51(56)67(2,3)52-25-9-14-30-57(52)72)35-20-36-63(66)73-58-31-15-10-26-53(58)68(4,5)54-27-11-16-32-59(54)73;/h7-39,42-43H,1-6H3;/q-3;
InChIKeyWDAVEKVLRYSXHH-UHFFFAOYSA-N
MW1165.29 g/mol
LogP17.47
Rot. Bonds7

About 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum

10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum (PubChem CID 169288905) has the molecular formula C68H53N6OPt-3 and a molecular weight of 1165.29 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum.

Molecular Properties

Compound Name10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum
PubChem CID169288905
Molecular FormulaC68H53N6OPt-3
Molecular Weight1165.29 g/mol
Exact Mass1164.39
IUPAC Name10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum
SMILESCc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1c(N2c3ccccc3C(C)(C)c3ccccc32)cccc1N1c2ccccc2C(C)(C)c2ccccc21.[Pt]
InChIInChI=1S/C68H53N6O.Pt/c1-44-39-65(74-55-28-12-7-23-48(55)49-38-37-47(41-64(49)74)75-46-22-19-21-45(40-46)71-43-70(6)60-33-17-18-34-61(60)71)69-42-50(44)66-62(72-56-29-13-8-24-51(56)67(2,3)52-25-9-14-30-57(52)72)35-20-36-63(66)73-58-31-15-10-26-53(58)68(4,5)54-27-11-16-32-59(54)73;/h7-39,42-43H,1-6H3;/q-3;
InChIKeyWDAVEKVLRYSXHH-UHFFFAOYSA-N
XLogP17.47
TPSA40.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.29
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum?
The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum (CID 169288905) is 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum.
What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum?
The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1c(N2c3ccccc3C(C)(C)c3ccccc32)cccc1N1c2ccccc2C(C)(C)c2ccccc21.[Pt].
What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum?
The InChIKey is WDAVEKVLRYSXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53N6O.Pt/c1-44-39-65(74-55-28-12-7-23-48(55)49-38-37-47(41-64(49)74)75-46-22-19-21-45(40-46)71-43-70(6)60-33-17-18-34-61(60)71)69-42-50(44)66-62(72-56-29-13-8-24-51(56)67(2,3)52-25-9-14-30-57(52)72)35-20-36-63(66)73-58-31-15-10-26-53(58)68(4,5)54-27-11-16-32-59(54)73;/h7-39,42-43H,1-6H3;/q-3;.
What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum?
10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum has a molecular weight of 1165.29 g/mol, XLogP of 17.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9,9-dimethylacridin-10-yl)-2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3-pyridinyl]phenyl]-9,9-dimethylacridine;platinum is sourced from PubChem (CID 169288905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).