CID 170654692

C55H52N6Pt-2 — CID 170654692

IUPAC—
SMILESCC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)nc2-c2ccccc2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C55H52N6.Pt/c1-53(2,3)39-29-30-56-51(34-39)61-49-26-17-16-25-47(49)48-28-27-45(36-50(48)61)60(42-21-14-11-15-22-42)44-24-18-23-43(35-44)59-37-58(52(57-59)38-19-12-10-13-20-38)46-32-40(54(4,5)6)31-41(33-46)55(7,8)9;/h10-34H,1-9H3;/q-2;
InChIKeyAXSJXLMQYIPLEJ-UHFFFAOYSA-N
MW992.14 g/mol
LogP13.07
Rot. Bonds7

About CID 170654692

CID 170654692 (PubChem CID 170654692) has the molecular formula C55H52N6Pt-2 and a molecular weight of 992.14 g/mol.

Molecular Properties

Compound NameCID 170654692
PubChem CID170654692
Molecular FormulaC55H52N6Pt-2
Molecular Weight992.14 g/mol
Exact Mass991.39
IUPAC Name—
SMILESCC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)nc2-c2ccccc2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C55H52N6.Pt/c1-53(2,3)39-29-30-56-51(34-39)61-49-26-17-16-25-47(49)48-28-27-45(36-50(48)61)60(42-21-14-11-15-22-42)44-24-18-23-43(35-44)59-37-58(52(57-59)38-19-12-10-13-20-38)46-32-40(54(4,5)6)31-41(33-46)55(7,8)9;/h10-34H,1-9H3;/q-2;
InChIKeyAXSJXLMQYIPLEJ-UHFFFAOYSA-N
XLogP13.07
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.14
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze CID 170654692 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

CID 170654648
CID 170654648
9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 155652147
N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 155651161
N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 162448983
CID 170654838
CID 170654838
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum
CID 162448816
CID 170654621
CID 170654621
9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 155623134
5-[[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]amino]benzene-1,3-dicarbonitrile;platinum
CID 176781553
N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382070
N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382684
N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 162465237

Frequently Asked Questions

What is the IUPAC name of CID 170654692?
The IUPAC name of CID 170654692 (CID 170654692) is not available.
What is the SMILES notation for CID 170654692?
The canonical SMILES for CID 170654692 is CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)nc2-c2ccccc2)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of CID 170654692?
The InChIKey is AXSJXLMQYIPLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52N6.Pt/c1-53(2,3)39-29-30-56-51(34-39)61-49-26-17-16-25-47(49)48-28-27-45(36-50(48)61)60(42-21-14-11-15-22-42)44-24-18-23-43(35-44)59-37-58(52(57-59)38-19-12-10-13-20-38)46-32-40(54(4,5)6)31-41(33-46)55(7,8)9;/h10-34H,1-9H3;/q-2;.
What are the key properties of CID 170654692?
CID 170654692 has a molecular weight of 992.14 g/mol, XLogP of 13.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170654692 is sourced from PubChem (CID 170654692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).