CID 154610773

C35H21N7OPt — CID 154610773

IUPAC—
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4nccnc4n4ccnc54)[c-]c3c3nccn3c2n1.[Pt+2]
InChIInChI=1S/C35H21N7O.Pt/c1-20-4-3-5-21(2)30(20)29-11-10-26-24-8-6-22(18-27(24)32-38-14-16-41(32)34(26)40-29)43-23-7-9-25-28(19-23)33-39-15-17-42(33)35-31(25)36-12-13-37-35;/h3-17H,1-2H3;/q-2;+2
InChIKeyCDPWSXHSIJJUBO-UHFFFAOYSA-N
MW750.68 g/mol
LogP7.45
Rot. Bonds3

About CID 154610773

CID 154610773 (PubChem CID 154610773) has the molecular formula C35H21N7OPt and a molecular weight of 750.68 g/mol.

Molecular Properties

Compound NameCID 154610773
PubChem CID154610773
Molecular FormulaC35H21N7OPt
Molecular Weight750.68 g/mol
Exact Mass750.15
IUPAC Name—
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4nccnc4n4ccnc54)[c-]c3c3nccn3c2n1.[Pt+2]
InChIInChI=1S/C35H21N7O.Pt/c1-20-4-3-5-21(2)30(20)29-11-10-26-24-8-6-22(18-27(24)32-38-14-16-41(32)34(26)40-29)43-23-7-9-25-28(19-23)33-39-15-17-42(33)35-31(25)36-12-13-37-35;/h3-17H,1-2H3;/q-2;+2
InChIKeyCDPWSXHSIJJUBO-UHFFFAOYSA-N
XLogP7.45
TPSA82.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.68
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 154610651
CID 154610651
CID 154611242
CID 154611242
CID 164703913
CID 164703913
CID 154611572
CID 154611572
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
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
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
CID 154610386
CID 154610386
5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610272
CID 164703843
CID 164703843
CID 154610598
CID 154610598
CID 164704242
CID 164704242

Frequently Asked Questions

What is the IUPAC name of CID 154610773?
The IUPAC name of CID 154610773 (CID 154610773) is not available.
What is the SMILES notation for CID 154610773?
The canonical SMILES for CID 154610773 is Cc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4nccnc4n4ccnc54)[c-]c3c3nccn3c2n1.[Pt+2].
What is the InChIKey of CID 154610773?
The InChIKey is CDPWSXHSIJJUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N7O.Pt/c1-20-4-3-5-21(2)30(20)29-11-10-26-24-8-6-22(18-27(24)32-38-14-16-41(32)34(26)40-29)43-23-7-9-25-28(19-23)33-39-15-17-42(33)35-31(25)36-12-13-37-35;/h3-17H,1-2H3;/q-2;+2.
What are the key properties of CID 154610773?
CID 154610773 has a molecular weight of 750.68 g/mol, XLogP of 7.45, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610773 is sourced from PubChem (CID 154610773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).