CID 59359312

C72H47N5O2PtS — CID 59359312

IUPAC—
SMILESCOc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cnn(-c3[c-]cccc3)c2)cc1.[Pt+2].[c-]1csc2c1c1nccn1c1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc21
InChIInChI=1S/C43H24N3OS.C29H23N2O.Pt/c1-3-10-38-31(8-1)34-23-27(29-14-17-41-35(24-29)32-9-2-4-11-40(32)47-41)13-16-39(34)46(38)30-7-5-6-26(22-30)28-12-15-37-36(25-28)42-33(18-21-48-42)43-44-19-20-45(37)43;1-21-17-27(23-9-5-3-6-10-23)29(32-2)28(18-21)24-15-13-22(14-16-24)25-19-30-31(20-25)26-11-7-4-8-12-26;/h1-17,19-25H;3-11,13-20H,1-2H3;/q2*-1;+2
InChIKeyREJIMOOVKSOMTK-UHFFFAOYSA-N
MW1241.35 g/mol
LogP18.82
Rot. Bonds8

About CID 59359312

CID 59359312 (PubChem CID 59359312) has the molecular formula C72H47N5O2PtS and a molecular weight of 1241.35 g/mol.

Molecular Properties

Compound NameCID 59359312
PubChem CID59359312
Molecular FormulaC72H47N5O2PtS
Molecular Weight1241.35 g/mol
Exact Mass1240.31
IUPAC Name—
SMILESCOc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cnn(-c3[c-]cccc3)c2)cc1.[Pt+2].[c-]1csc2c1c1nccn1c1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc21
InChIInChI=1S/C43H24N3OS.C29H23N2O.Pt/c1-3-10-38-31(8-1)34-23-27(29-14-17-41-35(24-29)32-9-2-4-11-40(32)47-41)13-16-39(34)46(38)30-7-5-6-26(22-30)28-12-15-37-36(25-28)42-33(18-21-48-42)43-44-19-20-45(37)43;1-21-17-27(23-9-5-3-6-10-23)29(32-2)28(18-21)24-15-13-22(14-16-24)25-19-30-31(20-25)26-11-7-4-8-12-26;/h1-17,19-25H;3-11,13-20H,1-2H3;/q2*-1;+2
InChIKeyREJIMOOVKSOMTK-UHFFFAOYSA-N
XLogP18.82
TPSA62.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.35
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze CID 59359312 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

6-[8-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]pyrazolo[1,5-f]phenanthridine
CID 59358679
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
CID 59358909
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole
CID 59358185
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933

Frequently Asked Questions

What is the IUPAC name of CID 59359312?
The IUPAC name of CID 59359312 (CID 59359312) is not available.
What is the SMILES notation for CID 59359312?
The canonical SMILES for CID 59359312 is COc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cnn(-c3[c-]cccc3)c2)cc1.[Pt+2].[c-]1csc2c1c1nccn1c1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc21.
What is the InChIKey of CID 59359312?
The InChIKey is REJIMOOVKSOMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N3OS.C29H23N2O.Pt/c1-3-10-38-31(8-1)34-23-27(29-14-17-41-35(24-29)32-9-2-4-11-40(32)47-41)13-16-39(34)46(38)30-7-5-6-26(22-30)28-12-15-37-36(25-28)42-33(18-21-48-42)43-44-19-20-45(37)43;1-21-17-27(23-9-5-3-6-10-23)29(32-2)28(18-21)24-15-13-22(14-16-24)25-19-30-31(20-25)26-11-7-4-8-12-26;/h1-17,19-25H;3-11,13-20H,1-2H3;/q2*-1;+2.
What are the key properties of CID 59359312?
CID 59359312 has a molecular weight of 1241.35 g/mol, XLogP of 18.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59359312 is sourced from PubChem (CID 59359312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).