CID 167399335

C38H35N4O2PtS- — CID 167399335

IUPAC—
SMILESCc1cc2c(cc1C)[N@@+]1(C)[CH-][N@+]2(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)C1.[Pt]
InChIInChI=1S/C38H35N4O2S.Pt/c1-25-18-35-36(19-26(25)2)42(23-41(35,6)24-42)28-10-9-11-29(21-28)45(43,44)30-14-15-32-31-12-7-8-13-33(31)40(34(32)22-30)37-20-27(16-17-39-37)38(3,4)5;/h7-20,23H,24H2,1-6H3;/q-1;/t41-,42+;/m0./s1
InChIKeyWGERCAMEWLWXPI-DBTARJIVSA-N
MW806.87 g/mol
LogP8.20
Rot. Bonds4

About CID 167399335

CID 167399335 (PubChem CID 167399335) has the molecular formula C38H35N4O2PtS- and a molecular weight of 806.87 g/mol.

Molecular Properties

Compound NameCID 167399335
PubChem CID167399335
Molecular FormulaC38H35N4O2PtS-
Molecular Weight806.87 g/mol
Exact Mass806.21
IUPAC Name—
SMILESCc1cc2c(cc1C)[N@@+]1(C)[CH-][N@+]2(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)C1.[Pt]
InChIInChI=1S/C38H35N4O2S.Pt/c1-25-18-35-36(19-26(25)2)42(23-41(35,6)24-42)28-10-9-11-29(21-28)45(43,44)30-14-15-32-31-12-7-8-13-33(31)40(34(32)22-30)37-20-27(16-17-39-37)38(3,4)5;/h7-20,23H,24H2,1-6H3;/q-1;/t41-,42+;/m0./s1
InChIKeyWGERCAMEWLWXPI-DBTARJIVSA-N
XLogP8.20
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.87
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 167399652
CID 167399652
CID 167399723
CID 167399723
CID 167399469
CID 167399469
9-(4-tert-butyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421936
2-[3-tert-butyl-5-(6-tert-butyl-3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155606686
CID 167399428
CID 167399428
9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421014
CID 167399482
CID 167399482
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-(2,4,5-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 155651636
CID 167399700
CID 167399700
CID 167399349
CID 167399349
CID 167399389
CID 167399389

Frequently Asked Questions

What is the IUPAC name of CID 167399335?
The IUPAC name of CID 167399335 (CID 167399335) is not available.
What is the SMILES notation for CID 167399335?
The canonical SMILES for CID 167399335 is Cc1cc2c(cc1C)[N@@+]1(C)[CH-][N@+]2(c2[c-]c(S(=O)(=O)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)C1.[Pt].
What is the InChIKey of CID 167399335?
The InChIKey is WGERCAMEWLWXPI-DBTARJIVSA-N. The full InChI is InChI=1S/C38H35N4O2S.Pt/c1-25-18-35-36(19-26(25)2)42(23-41(35,6)24-42)28-10-9-11-29(21-28)45(43,44)30-14-15-32-31-12-7-8-13-33(31)40(34(32)22-30)37-20-27(16-17-39-37)38(3,4)5;/h7-20,23H,24H2,1-6H3;/q-1;/t41-,42+;/m0./s1.
What are the key properties of CID 167399335?
CID 167399335 has a molecular weight of 806.87 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167399335 is sourced from PubChem (CID 167399335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).