CID 167399700

C38H35N4OPt- — CID 167399700

IUPAC—
SMILESCc1cc2c(cc1C)[N@@+]1(C)[CH-][N@+]2(c2[c-]c(Oc3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)cc(C(C)(C)C)c2)C1.[Pt]
InChIInChI=1S/C38H35N4O.Pt/c1-25-17-35-36(18-26(25)2)42(23-41(35,6)24-42)29-19-27(38(3,4)5)20-31(22-29)43-30-12-9-11-28(21-30)40-34-15-8-7-13-32(34)33-14-10-16-39-37(33)40;/h7-20,23H,24H2,1-6H3;/q-1;/t41-,42+;/m0./s1
InChIKeyWMFKQXKCBPBCJJ-DBTARJIVSA-N
MW758.80 g/mol
LogP9.16
Rot. Bonds4

About CID 167399700

CID 167399700 (PubChem CID 167399700) has the molecular formula C38H35N4OPt- and a molecular weight of 758.80 g/mol.

Molecular Properties

Compound NameCID 167399700
PubChem CID167399700
Molecular FormulaC38H35N4OPt-
Molecular Weight758.80 g/mol
Exact Mass758.25
IUPAC Name—
SMILESCc1cc2c(cc1C)[N@@+]1(C)[CH-][N@+]2(c2[c-]c(Oc3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)cc(C(C)(C)C)c2)C1.[Pt]
InChIInChI=1S/C38H35N4O.Pt/c1-25-17-35-36(18-26(25)2)42(23-41(35,6)24-42)29-19-27(38(3,4)5)20-31(22-29)43-30-12-9-11-28(21-30)40-34-15-8-7-13-32(34)33-14-10-16-39-37(33)40;/h7-20,23H,24H2,1-6H3;/q-1;/t41-,42+;/m0./s1
InChIKeyWMFKQXKCBPBCJJ-DBTARJIVSA-N
XLogP9.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.80
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 167381817
CID 167381817
CID 167399652
CID 167399652
9-[3-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum
CID 168783710
CID 167399335
CID 167399335
CID 167399469
CID 167399469
CID 164703835
CID 164703835
CID 164704143
CID 164704143
11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 164704190
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
9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum
CID 168848405
CID 167382672
CID 167382672
CID 167399723
CID 167399723

Frequently Asked Questions

What is the IUPAC name of CID 167399700?
The IUPAC name of CID 167399700 (CID 167399700) is not available.
What is the SMILES notation for CID 167399700?
The canonical SMILES for CID 167399700 is Cc1cc2c(cc1C)[N@@+]1(C)[CH-][N@+]2(c2[c-]c(Oc3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)cc(C(C)(C)C)c2)C1.[Pt].
What is the InChIKey of CID 167399700?
The InChIKey is WMFKQXKCBPBCJJ-DBTARJIVSA-N. The full InChI is InChI=1S/C38H35N4O.Pt/c1-25-17-35-36(18-26(25)2)42(23-41(35,6)24-42)29-19-27(38(3,4)5)20-31(22-29)43-30-12-9-11-28(21-30)40-34-15-8-7-13-32(34)33-14-10-16-39-37(33)40;/h7-20,23H,24H2,1-6H3;/q-1;/t41-,42+;/m0./s1.
What are the key properties of CID 167399700?
CID 167399700 has a molecular weight of 758.80 g/mol, XLogP of 9.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167399700 is sourced from PubChem (CID 167399700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).