CID 162487067

C44H25N5OPt — CID 162487067

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nccn1c1cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C44H25N5O.Pt/c1-2-10-28(11-3-1)48-38-14-6-5-13-33(38)36-26-35-31-19-17-29(24-37(31)44-46-22-23-47(44)40(35)27-42(36)48)50-30-18-20-34-32-12-4-7-15-39(32)49(41(34)25-30)43-16-8-9-21-45-43;/h1-23,26-27H;/q-2;+2
InChIKeyOJONSBLFUSCJCK-UHFFFAOYSA-N
MW834.80 g/mol
LogP10.62
Rot. Bonds4

About CID 162487067

CID 162487067 (PubChem CID 162487067) has the molecular formula C44H25N5OPt and a molecular weight of 834.80 g/mol.

Molecular Properties

Compound NameCID 162487067
PubChem CID162487067
Molecular FormulaC44H25N5OPt
Molecular Weight834.80 g/mol
Exact Mass834.17
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nccn1c1cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C44H25N5O.Pt/c1-2-10-28(11-3-1)48-38-14-6-5-13-33(38)36-26-35-31-19-17-29(24-37(31)44-46-22-23-47(44)40(35)27-42(36)48)50-30-18-20-34-32-12-4-7-15-39(32)49(41(34)25-30)43-16-8-9-21-45-43;/h1-23,26-27H;/q-2;+2
InChIKeyOJONSBLFUSCJCK-UHFFFAOYSA-N
XLogP10.62
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.80
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
CID 154610691
CID 154610691
5-tert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610586
8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610895
7,8-ditert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611664
12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-(7-phenyl-5-pyridin-2-yl-4H-indolo[2,3-b]carbazol-4-id-3-yl)silane;12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-(11-phenyl-5-pyridin-2-yl-4H-indolo[3,2-b]carbazol-4-id-3-yl)silane;12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-(7-pyridin-2-yl-8H-[1]benzofuro[2,3-b]carbazol-8-id-9-yl)silane;12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-(11-pyridin-2-yl-10H-[1]benzofuro[3,2-b]carbazol-10-id-9-yl)silane;tetrakis(platinum(2+))
CID 163959958
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608
CID 163477101
CID 163477101
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611497
6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611149
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698
6-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611246

Frequently Asked Questions

What is the IUPAC name of CID 162487067?
The IUPAC name of CID 162487067 (CID 162487067) is not available.
What is the SMILES notation for CID 162487067?
The canonical SMILES for CID 162487067 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nccn1c1cc3c(cc21)c1ccccc1n3-c1ccccc1.
What is the InChIKey of CID 162487067?
The InChIKey is OJONSBLFUSCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5O.Pt/c1-2-10-28(11-3-1)48-38-14-6-5-13-33(38)36-26-35-31-19-17-29(24-37(31)44-46-22-23-47(44)40(35)27-42(36)48)50-30-18-20-34-32-12-4-7-15-39(32)49(41(34)25-30)43-16-8-9-21-45-43;/h1-23,26-27H;/q-2;+2.
What are the key properties of CID 162487067?
CID 162487067 has a molecular weight of 834.80 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162487067 is sourced from PubChem (CID 162487067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).