platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene

C41H22F3N5OPt — CID 171436392

IUPACplatinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene
SMILESFC(F)(F)c1nc2c3c(cn2-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc2)-c2ccccc2-c2ccccc2-n13.[Pt+2]
InChIInChI=1S/C41H22F3N5O.Pt/c42-41(43,44)40-46-39-38-33(29-13-2-1-12-28(29)30-14-3-6-17-35(30)49(38)40)24-47(39)25-10-9-11-26(22-25)50-27-19-20-32-31-15-4-5-16-34(31)48(36(32)23-27)37-18-7-8-21-45-37;/h1-21,24H;/q-2;+2
InChIKeyNVUMLFKCYOLWNE-UHFFFAOYSA-N
MW852.73 g/mol
LogP10.36
Rot. Bonds4

About platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene

platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene (PubChem CID 171436392) has the molecular formula C41H22F3N5OPt and a molecular weight of 852.73 g/mol. Its IUPAC name is platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene.

Molecular Properties

Compound Nameplatinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene
PubChem CID171436392
Molecular FormulaC41H22F3N5OPt
Molecular Weight852.73 g/mol
Exact Mass852.14
IUPAC Nameplatinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene
SMILESFC(F)(F)c1nc2c3c(cn2-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc2)-c2ccccc2-c2ccccc2-n13.[Pt+2]
InChIInChI=1S/C41H22F3N5O.Pt/c42-41(43,44)40-46-39-38-33(29-13-2-1-12-28(29)30-14-3-6-17-35(30)49(38)40)24-47(39)25-10-9-11-26(22-25)50-27-19-20-32-31-15-4-5-16-34(31)48(36(32)23-27)37-18-7-8-21-45-37;/h1-21,24H;/q-2;+2
InChIKeyNVUMLFKCYOLWNE-UHFFFAOYSA-N
XLogP10.36
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.73
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene 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

5-(1-Methyl-2,3-dihydroindol-7-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255053
5-(1-Methylindol-7-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255054
2-N-isoquinolin-1-yl-9-phenyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117089309
7-Fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 67545173
9-[4-Phenyl-6-(trifluoromethyl)pteridin-2-yl]carbazole
CID 68196853
6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine
CID 71180835
6,8-Difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326547
4-[7-[6-(7-Azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline
CID 139326721
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
14-(3-Fluorophenyl)-10-phenyl-5,10,12,14-tetrazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 145634651
10-(3-Fluorophenyl)-14-phenyl-5,10,12,14-tetrazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 145634842
10-(3-Fluorophenyl)-14-phenyl-2,5,10,12,14-pentazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 145634913

Frequently Asked Questions

What is the IUPAC name of platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene?
The IUPAC name of platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene (CID 171436392) is platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene.
What is the SMILES notation for platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene?
The canonical SMILES for platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene is FC(F)(F)c1nc2c3c(cn2-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc2)-c2ccccc2-c2ccccc2-n13.[Pt+2].
What is the InChIKey of platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene?
The InChIKey is NVUMLFKCYOLWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22F3N5O.Pt/c42-41(43,44)40-46-39-38-33(29-13-2-1-12-28(29)30-14-3-6-17-35(30)49(38)40)24-47(39)25-10-9-11-26(22-25)50-27-19-20-32-31-15-4-5-16-34(31)48(36(32)23-27)37-18-7-8-21-45-37;/h1-21,24H;/q-2;+2.
What are the key properties of platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene?
platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene has a molecular weight of 852.73 g/mol, XLogP of 10.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);16-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-19-(trifluoromethyl)-1,16,18-triazapentacyclo[12.5.1.02,7.08,13.017,20]icosa-2,4,6,8,10,12,14,17(20),18-nonaene is sourced from PubChem (CID 171436392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).