CID 164703659

C60H56N4Pt — CID 164703659

IUPAC—
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2[c-]c(ccc2)N2[CH-]N(C3=C2CCCC3)C2(c3ccccc3-c3ccccc32)N2[CH-]N(C3=C2CCCC3)c2[c-]c1ccc2.[Pt+4]
InChIInChI=1S/C60H56N4.Pt/c1-57(2,3)39-29-31-49-47(35-39)48-36-40(58(4,5)6)30-32-50(48)59(49)41-17-15-19-43(33-41)61-37-63(55-27-13-11-25-53(55)61)60(51-23-9-7-21-45(51)46-22-8-10-24-52(46)60)64-38-62(44-20-16-18-42(59)34-44)54-26-12-14-28-56(54)64;/h7-10,15-24,29-32,35-38H,11-14,25-28H2,1-6H3;/q-4;+4
InChIKeyAEMYWVVNHMCTMB-UHFFFAOYSA-N
MW1028.21 g/mol
LogP14.19
Rot. Bonds

About CID 164703659

CID 164703659 (PubChem CID 164703659) has the molecular formula C60H56N4Pt and a molecular weight of 1028.21 g/mol.

Molecular Properties

Compound NameCID 164703659
PubChem CID164703659
Molecular FormulaC60H56N4Pt
Molecular Weight1028.21 g/mol
Exact Mass1027.42
IUPAC Name—
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2[c-]c(ccc2)N2[CH-]N(C3=C2CCCC3)C2(c3ccccc3-c3ccccc32)N2[CH-]N(C3=C2CCCC3)c2[c-]c1ccc2.[Pt+4]
InChIInChI=1S/C60H56N4.Pt/c1-57(2,3)39-29-31-49-47(35-39)48-36-40(58(4,5)6)30-32-50(48)59(49)41-17-15-19-43(33-41)61-37-63(55-27-13-11-25-53(55)61)60(51-23-9-7-21-45(51)46-22-8-10-24-52(46)60)64-38-62(44-20-16-18-42(59)34-44)54-26-12-14-28-56(54)64;/h7-10,15-24,29-32,35-38H,11-14,25-28H2,1-6H3;/q-4;+4
InChIKeyAEMYWVVNHMCTMB-UHFFFAOYSA-N
XLogP14.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.21
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 164703659 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

3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)
CID 156666861
7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)
CID 171730424
CID 164703660
CID 164703660
2-[2,7-ditert-butyl-9-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
CID 162461961
8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum
CID 155633576
9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(3-methyl-2H-benzimidazol-2-id-1-yl)-1H-carbazol-1-ide;9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-2-(3-methyl-2H-benzimidazol-2-id-1-yl)-1H-carbazol-1-ide;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-9-[3-(1-pyridin-2-ylcyclohexyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum
CID 161467999
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2-[3-[3-[9-[3-(3,5-dimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,2,4,4-tetramethylpentan-3-yl]pyridine;palladium
CID 169019148
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
4-tert-butyl-2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
CID 155614394
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743

Frequently Asked Questions

What is the IUPAC name of CID 164703659?
The IUPAC name of CID 164703659 (CID 164703659) is not available.
What is the SMILES notation for CID 164703659?
The canonical SMILES for CID 164703659 is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2[c-]c(ccc2)N2[CH-]N(C3=C2CCCC3)C2(c3ccccc3-c3ccccc32)N2[CH-]N(C3=C2CCCC3)c2[c-]c1ccc2.[Pt+4].
What is the InChIKey of CID 164703659?
The InChIKey is AEMYWVVNHMCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56N4.Pt/c1-57(2,3)39-29-31-49-47(35-39)48-36-40(58(4,5)6)30-32-50(48)59(49)41-17-15-19-43(33-41)61-37-63(55-27-13-11-25-53(55)61)60(51-23-9-7-21-45(51)46-22-8-10-24-52(46)60)64-38-62(44-20-16-18-42(59)34-44)54-26-12-14-28-56(54)64;/h7-10,15-24,29-32,35-38H,11-14,25-28H2,1-6H3;/q-4;+4.
What are the key properties of CID 164703659?
CID 164703659 has a molecular weight of 1028.21 g/mol, XLogP of 14.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164703659 is sourced from PubChem (CID 164703659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).