CID 154610823

C35H19N5OPt — CID 154610823

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n2ccnc32)ccc2c1c1nccn1c1ccncc21
InChIInChI=1S/C35H19N5O.Pt/c1-2-4-22(5-3-1)23-6-11-32-28(18-23)26-9-7-24(19-29(26)34-37-14-16-39(32)34)41-25-8-10-27-30(20-25)35-38-15-17-40(35)33-12-13-36-21-31(27)33;/h1-18,21H;/q-2;+2
InChIKeyJLPPDKARHXVVQF-UHFFFAOYSA-N
MW720.65 g/mol
LogP8.05
Rot. Bonds3

About CID 154610823

CID 154610823 (PubChem CID 154610823) has the molecular formula C35H19N5OPt and a molecular weight of 720.65 g/mol.

Molecular Properties

Compound NameCID 154610823
PubChem CID154610823
Molecular FormulaC35H19N5OPt
Molecular Weight720.65 g/mol
Exact Mass720.12
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n2ccnc32)ccc2c1c1nccn1c1ccncc21
InChIInChI=1S/C35H19N5O.Pt/c1-2-4-22(5-3-1)23-6-11-32-28(18-23)26-9-7-24(19-29(26)34-37-14-16-39(32)34)41-25-8-10-27-30(20-25)35-38-15-17-40(35)33-12-13-36-21-31(27)33;/h1-18,21H;/q-2;+2
InChIKeyJLPPDKARHXVVQF-UHFFFAOYSA-N
XLogP8.05
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.65
LogP ≤ 58.05
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

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
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
CID 154610613
CID 154610613
CID 154610386
CID 154610386
6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611141
CID 154610598
CID 154610598
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
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-2,3-diphenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 164703973
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
5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611397
CID 154611572
CID 154611572
CID 154610989
CID 154610989

Frequently Asked Questions

What is the IUPAC name of CID 154610823?
The IUPAC name of CID 154610823 (CID 154610823) is not available.
What is the SMILES notation for CID 154610823?
The canonical SMILES for CID 154610823 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n2ccnc32)ccc2c1c1nccn1c1ccncc21.
What is the InChIKey of CID 154610823?
The InChIKey is JLPPDKARHXVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N5O.Pt/c1-2-4-22(5-3-1)23-6-11-32-28(18-23)26-9-7-24(19-29(26)34-37-14-16-39(32)34)41-25-8-10-27-30(20-25)35-38-15-17-40(35)33-12-13-36-21-31(27)33;/h1-18,21H;/q-2;+2.
What are the key properties of CID 154610823?
CID 154610823 has a molecular weight of 720.65 g/mol, XLogP of 8.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610823 is sourced from PubChem (CID 154610823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).