[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum

C76H49N5O3Pt-2 — CID 164804250

IUPAC[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccc8oc9ccccc9c8c7)cc(-n7c8ccccc8c8ccccc87)cc6-c6ccc7oc8ccccc8c7c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1
InChIInChI=1S/C76H49N5O3.Pt/c1-76(2,3)49-37-38-77-74(41-49)81-66-26-11-6-21-56(66)57-34-33-53(45-69(57)81)82-52-18-16-17-50(42-52)78-46-79(68-28-13-12-27-67(68)78)75-60(47-31-35-72-62(39-47)58-22-7-14-29-70(58)83-72)43-51(80-64-24-9-4-19-54(64)55-20-5-10-25-65(55)80)44-61(75)48-32-36-73-63(40-48)59-23-8-15-30-71(59)84-73;/h4-41,43-44H,1-3H3;/q-2;
InChIKeyABODSPJVSWWIBI-UHFFFAOYSA-N
MW1275.34 g/mol
LogP19.91
Rot. Bonds8

About [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum

[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 164804250) has the molecular formula C76H49N5O3Pt-2 and a molecular weight of 1275.34 g/mol. Its IUPAC name is [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum
PubChem CID164804250
Molecular FormulaC76H49N5O3Pt-2
Molecular Weight1275.34 g/mol
Exact Mass1274.35
IUPAC Name[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccc8oc9ccccc9c8c7)cc(-n7c8ccccc8c8ccccc87)cc6-c6ccc7oc8ccccc8c7c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1
InChIInChI=1S/C76H49N5O3.Pt/c1-76(2,3)49-37-38-77-74(41-49)81-66-26-11-6-21-56(66)57-34-33-53(45-69(57)81)82-52-18-16-17-50(42-52)78-46-79(68-28-13-12-27-67(68)78)75-60(47-31-35-72-62(39-47)58-22-7-14-29-70(58)83-72)43-51(80-64-24-9-4-19-54(64)55-20-5-10-25-65(55)80)44-61(75)48-32-36-73-63(40-48)59-23-8-15-30-71(59)84-73;/h4-41,43-44H,1-3H3;/q-2;
InChIKeyABODSPJVSWWIBI-UHFFFAOYSA-N
XLogP19.91
TPSA68.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001275.34
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum with MolForge

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

Launch Full Analysis

Related Compounds

[1-[5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,3,4-trideuteriobenzene-6-id-1-yl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804273
CID 168782405
CID 168782405
[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-(4-isocyanophenyl)benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804340
[1-[3-[[9-(4-tert-butyl-5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804317
CID 171047011
CID 171047011
[1-(3-tert-butylphenyl)-3-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 168799894
CID 171047857
CID 171047857
CID 176623593
CID 176623593
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 165150188
2-[3-[3-[2,6-bis(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 177082962
CID 171047513
CID 171047513
CID 171595982
CID 171595982

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum (CID 164804250) is [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccc8oc9ccccc9c8c7)cc(-n7c8ccccc8c8ccccc87)cc6-c6ccc7oc8ccccc8c7c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.
What is the InChIKey of [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum?
The InChIKey is ABODSPJVSWWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H49N5O3.Pt/c1-76(2,3)49-37-38-77-74(41-49)81-66-26-11-6-21-56(66)57-34-33-53(45-69(57)81)82-52-18-16-17-50(42-52)78-46-79(68-28-13-12-27-67(68)78)75-60(47-31-35-72-62(39-47)58-22-7-14-29-70(58)83-72)43-51(80-64-24-9-4-19-54(64)55-20-5-10-25-65(55)80)44-61(75)48-32-36-73-63(40-48)59-23-8-15-30-71(59)84-73;/h4-41,43-44H,1-3H3;/q-2;.
What are the key properties of [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum?
[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1275.34 g/mol, XLogP of 19.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 164804250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).