3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum

C80H77N6OPt-3 — CID 153490704

IUPAC3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cccc6-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C80H77N6O.Pt/c1-76(2,3)50-30-36-65-60(42-50)61-43-51(77(4,5)6)31-37-66(61)84(65)71-28-21-29-72(85-67-38-32-52(78(7,8)9)44-62(67)63-45-53(79(10,11)12)33-39-68(63)85)75(71)83-49-82(69-26-18-19-27-70(69)83)55-22-20-23-56(47-55)87-57-34-35-59-58-24-16-17-25-64(58)86(73(59)48-57)74-46-54(40-41-81-74)80(13,14)15;/h16-46,49H,1-15H3;/q-3;
InChIKeyIQHNBYXFBFUHAW-UHFFFAOYSA-N
MW1333.61 g/mol
LogP21.66
Rot. Bonds7

About 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum

3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum (PubChem CID 153490704) has the molecular formula C80H77N6OPt-3 and a molecular weight of 1333.61 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum
PubChem CID153490704
Molecular FormulaC80H77N6OPt-3
Molecular Weight1333.61 g/mol
Exact Mass1332.58
IUPAC Name3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cccc6-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C80H77N6O.Pt/c1-76(2,3)50-30-36-65-60(42-50)61-43-51(77(4,5)6)31-37-66(61)84(65)71-28-21-29-72(85-67-38-32-52(78(7,8)9)44-62(67)63-45-53(79(10,11)12)33-39-68(63)85)75(71)83-49-82(69-26-18-19-27-70(69)83)55-22-20-23-56(47-55)87-57-34-35-59-58-24-16-17-25-64(58)86(73(59)48-57)74-46-54(40-41-81-74)80(13,14)15;/h16-46,49H,1-15H3;/q-3;
InChIKeyIQHNBYXFBFUHAW-UHFFFAOYSA-N
XLogP21.66
TPSA43.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.61
LogP ≤ 521.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum?
The IUPAC name of 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum (CID 153490704) is 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum.
What is the SMILES notation for 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum?
The canonical SMILES for 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cccc6-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum?
The InChIKey is IQHNBYXFBFUHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H77N6O.Pt/c1-76(2,3)50-30-36-65-60(42-50)61-43-51(77(4,5)6)31-37-66(61)84(65)71-28-21-29-72(85-67-38-32-52(78(7,8)9)44-62(67)63-45-53(79(10,11)12)33-39-68(63)85)75(71)83-49-82(69-26-18-19-27-70(69)83)55-22-20-23-56(47-55)87-57-34-35-59-58-24-16-17-25-64(58)86(73(59)48-57)74-46-54(40-41-81-74)80(13,14)15;/h16-46,49H,1-15H3;/q-3;.
What are the key properties of 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum?
3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum has a molecular weight of 1333.61 g/mol, XLogP of 21.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;platinum is sourced from PubChem (CID 153490704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).