CID 154611242

C44H30N6OPt — CID 154611242

IUPAC—
SMILESCc1cccc(C)c1-c1cc2c3ccc(Oc4[c-]c5c(cc4)c4nccnc4n4ccnc54)[c-]c3c3nccn3c2cc1-c1c(C)cccc1C.[Pt+2]
InChIInChI=1S/C44H30N6O.Pt/c1-25-7-5-8-26(2)39(25)34-23-33-31-13-11-29(51-30-12-14-32-37(22-30)43-48-18-20-50(43)44-41(32)45-15-16-46-44)21-36(31)42-47-17-19-49(42)38(33)24-35(34)40-27(3)9-6-10-28(40)4;/h5-20,23-24H,1-4H3;/q-2;+2
InChIKeyGASVCSIDECBFGK-UHFFFAOYSA-N
MW853.84 g/mol
LogP10.34
Rot. Bonds4

About CID 154611242

CID 154611242 (PubChem CID 154611242) has the molecular formula C44H30N6OPt and a molecular weight of 853.84 g/mol.

Molecular Properties

Compound NameCID 154611242
PubChem CID154611242
Molecular FormulaC44H30N6OPt
Molecular Weight853.84 g/mol
Exact Mass853.21
IUPAC Name—
SMILESCc1cccc(C)c1-c1cc2c3ccc(Oc4[c-]c5c(cc4)c4nccnc4n4ccnc54)[c-]c3c3nccn3c2cc1-c1c(C)cccc1C.[Pt+2]
InChIInChI=1S/C44H30N6O.Pt/c1-25-7-5-8-26(2)39(25)34-23-33-31-13-11-29(51-30-12-14-32-37(22-30)43-48-18-20-50(43)44-41(32)45-15-16-46-44)21-36(31)42-47-17-19-49(42)38(33)24-35(34)40-27(3)9-6-10-28(40)4;/h5-20,23-24H,1-4H3;/q-2;+2
InChIKeyGASVCSIDECBFGK-UHFFFAOYSA-N
XLogP10.34
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.84
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

CID 154610773
CID 154610773
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 154611572
CID 154611572
11-[[7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611480
11-[[5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611612
CID 154610651
CID 154610651
CID 154610386
CID 154610386
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
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
CID 164703913
CID 164703913
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
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 154611242?
The IUPAC name of CID 154611242 (CID 154611242) is not available.
What is the SMILES notation for CID 154611242?
The canonical SMILES for CID 154611242 is Cc1cccc(C)c1-c1cc2c3ccc(Oc4[c-]c5c(cc4)c4nccnc4n4ccnc54)[c-]c3c3nccn3c2cc1-c1c(C)cccc1C.[Pt+2].
What is the InChIKey of CID 154611242?
The InChIKey is GASVCSIDECBFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6O.Pt/c1-25-7-5-8-26(2)39(25)34-23-33-31-13-11-29(51-30-12-14-32-37(22-30)43-48-18-20-50(43)44-41(32)45-15-16-46-44)21-36(31)42-47-17-19-49(42)38(33)24-35(34)40-27(3)9-6-10-28(40)4;/h5-20,23-24H,1-4H3;/q-2;+2.
What are the key properties of CID 154611242?
CID 154611242 has a molecular weight of 853.84 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154611242 is sourced from PubChem (CID 154611242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).