CID 58831030

C30H19N4O2Pt- — CID 58831030

IUPAC—
SMILES[Pt].[c-]1c2cccc1N(c1ccccc1)c1nc(co1)-c1cccc(c1)N(c1ccccc1)c1nc-2co1
InChIInChI=1S/C30H19N4O2.Pt/c1-3-11-23(12-4-1)33-25-15-7-9-21(17-25)28-20-36-30(32-28)34(24-13-5-2-6-14-24)26-16-8-10-22(18-26)27-19-35-29(33)31-27;/h1-17,19-20H;/q-1;
InChIKeySGYFKIQOILNJNV-UHFFFAOYSA-N
MW662.59 g/mol
LogP8.05
Rot. Bonds2

About CID 58831030

CID 58831030 (PubChem CID 58831030) has the molecular formula C30H19N4O2Pt- and a molecular weight of 662.59 g/mol.

Molecular Properties

Compound NameCID 58831030
PubChem CID58831030
Molecular FormulaC30H19N4O2Pt-
Molecular Weight662.59 g/mol
Exact Mass662.12
IUPAC Name—
SMILES[Pt].[c-]1c2cccc1N(c1ccccc1)c1nc(co1)-c1cccc(c1)N(c1ccccc1)c1nc-2co1
InChIInChI=1S/C30H19N4O2.Pt/c1-3-11-23(12-4-1)33-25-15-7-9-21(17-25)28-20-36-30(32-28)34(24-13-5-2-6-14-24)26-16-8-10-22(18-26)27-19-35-29(33)31-27;/h1-17,19-20H;/q-1;
InChIKeySGYFKIQOILNJNV-UHFFFAOYSA-N
XLogP8.05
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.59
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-diphenyl-4-pyridinyl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123806675
CID 168836195
CID 168836195
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123621880
9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 142615117
2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
CID 21408523
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
CID 162118924
CID 162118924
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 140607089
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
3-(4-phenyl-1,3-oxazol-2-yl)phenol
CID 115041984
CID 162233745
CID 162233745

Frequently Asked Questions

What is the IUPAC name of CID 58831030?
The IUPAC name of CID 58831030 (CID 58831030) is not available.
What is the SMILES notation for CID 58831030?
The canonical SMILES for CID 58831030 is [Pt].[c-]1c2cccc1N(c1ccccc1)c1nc(co1)-c1cccc(c1)N(c1ccccc1)c1nc-2co1.
What is the InChIKey of CID 58831030?
The InChIKey is SGYFKIQOILNJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N4O2.Pt/c1-3-11-23(12-4-1)33-25-15-7-9-21(17-25)28-20-36-30(32-28)34(24-13-5-2-6-14-24)26-16-8-10-22(18-26)27-19-35-29(33)31-27;/h1-17,19-20H;/q-1;.
What are the key properties of CID 58831030?
CID 58831030 has a molecular weight of 662.59 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58831030 is sourced from PubChem (CID 58831030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).