CID 154610691

C35H25N5OPt — CID 154610691

IUPAC—
SMILESCC(C)(C)c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3c3nccn3c2n1.[Pt+2]
InChIInChI=1S/C35H25N5O.Pt/c1-35(2,3)31-16-15-27-24-13-11-22(20-28(24)33-37-18-19-39(33)34(27)38-31)41-23-12-14-26-25-8-4-5-9-29(25)40(30(26)21-23)32-10-6-7-17-36-32;/h4-19H,1-3H3;/q-2;+2
InChIKeySADYRQJUJKAKKH-UHFFFAOYSA-N
MW726.70 g/mol
LogP8.22
Rot. Bonds3

About CID 154610691

CID 154610691 (PubChem CID 154610691) has the molecular formula C35H25N5OPt and a molecular weight of 726.70 g/mol.

Molecular Properties

Compound NameCID 154610691
PubChem CID154610691
Molecular FormulaC35H25N5OPt
Molecular Weight726.70 g/mol
Exact Mass726.17
IUPAC Name—
SMILESCC(C)(C)c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3c3nccn3c2n1.[Pt+2]
InChIInChI=1S/C35H25N5O.Pt/c1-35(2,3)31-16-15-27-24-13-11-22(20-28(24)33-37-18-19-39(33)34(27)38-31)41-23-12-14-26-25-8-4-5-9-29(25)40(30(26)21-23)32-10-6-7-17-36-32;/h4-19H,1-3H3;/q-2;+2
InChIKeySADYRQJUJKAKKH-UHFFFAOYSA-N
XLogP8.22
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.70
LogP ≤ 58.22
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

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
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
CID 162487067
CID 162487067
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
16-tert-butyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610692
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
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
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
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
CID 154611166
CID 154611166
CID 154610967
CID 154610967
2-[3-[(6-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421686

Frequently Asked Questions

What is the IUPAC name of CID 154610691?
The IUPAC name of CID 154610691 (CID 154610691) is not available.
What is the SMILES notation for CID 154610691?
The canonical SMILES for CID 154610691 is CC(C)(C)c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3c3nccn3c2n1.[Pt+2].
What is the InChIKey of CID 154610691?
The InChIKey is SADYRQJUJKAKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5O.Pt/c1-35(2,3)31-16-15-27-24-13-11-22(20-28(24)33-37-18-19-39(33)34(27)38-31)41-23-12-14-26-25-8-4-5-9-29(25)40(30(26)21-23)32-10-6-7-17-36-32;/h4-19H,1-3H3;/q-2;+2.
What are the key properties of CID 154610691?
CID 154610691 has a molecular weight of 726.70 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610691 is sourced from PubChem (CID 154610691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).