[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

C52H31FN6OPt-2 — CID 165167653

IUPAC[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
SMILESFc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cncnc1
InChIInChI=1S/C52H31FN6O.Pt/c53-46-29-51(56-32-45(46)37-30-54-33-55-31-37)59-47-22-8-7-19-43(47)44-26-25-40(28-50(44)59)60-39-18-11-17-38(27-39)57-34-58(49-24-10-9-23-48(49)57)52-41(35-13-3-1-4-14-35)20-12-21-42(52)36-15-5-2-6-16-36;/h1-26,29-33H;/q-2;
InChIKeyRBSYLSJYFDNCBN-UHFFFAOYSA-N
MW969.94 g/mol
LogP12.31
Rot. Bonds8

About [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 165167653) has the molecular formula C52H31FN6OPt-2 and a molecular weight of 969.94 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
PubChem CID165167653
Molecular FormulaC52H31FN6OPt-2
Molecular Weight969.94 g/mol
Exact Mass969.22
IUPAC Name[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
SMILESFc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cncnc1
InChIInChI=1S/C52H31FN6O.Pt/c53-46-29-51(56-32-45(46)37-30-54-33-55-31-37)59-47-22-8-7-19-43(47)44-26-25-40(28-50(44)59)60-39-18-11-17-38(27-39)57-34-58(49-24-10-9-23-48(49)57)52-41(35-13-3-1-4-14-35)20-12-21-42(52)36-15-5-2-6-16-36;/h1-26,29-33H;/q-2;
InChIKeyRBSYLSJYFDNCBN-UHFFFAOYSA-N
XLogP12.31
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.94
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]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

4-[5-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]pyrimidin-2-yl]morpholine
CID 168283226
4-[[3-[1-(2-Fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine
CID 11464785
2-[3-Fluoro-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
CID 23391314
8-[2-[3-Fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
CID 23391335
1-(6-Fluoro-2-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one
CID 49833609
1-(6-Fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one
CID 59613083
12-[3-(2-Fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 139495610
9-[2-[4-(2-Fluorophenyl)-2-phenylpyrimidin-5-yl]phenyl]-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,13,15,17,19-nonaene
CID 139495661
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 140742611
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760911
2,7-bis[[4-(1,1,2,2,2-pentafluoroethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760985
2,7-bis[[9-pyridin-2-yl-4-(2,2,2-trifluoroethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761007

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 165167653) is [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is Fc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cncnc1.
What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The InChIKey is RBSYLSJYFDNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31FN6O.Pt/c53-46-29-51(56-32-45(46)37-30-54-33-55-31-37)59-47-22-8-7-19-43(47)44-26-25-40(28-50(44)59)60-39-18-11-17-38(27-39)57-34-58(49-24-10-9-23-48(49)57)52-41(35-13-3-1-4-14-35)20-12-21-42(52)36-15-5-2-6-16-36;/h1-26,29-33H;/q-2;.
What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 969.94 g/mol, XLogP of 12.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).