CID 154610989

C47H27N5OPt — CID 154610989

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1c(-c3ccccc3)cc(-c3ccccc3)cc21
InChIInChI=1S/C47H27N5O.Pt/c1-4-11-30(12-5-1)33-25-38(31-13-6-2-7-14-31)45-39(26-33)36-20-18-34(27-40(36)46-49-23-24-51(45)46)53-35-19-21-37-41(28-35)47-50-29-43(32-15-8-3-9-16-32)52(47)42-17-10-22-48-44(37)42;/h1-26,29H;/q-2;+2
InChIKeyMWQFDOJBTUSNAG-UHFFFAOYSA-N
MW872.85 g/mol
LogP11.38
Rot. Bonds5

About CID 154610989

CID 154610989 (PubChem CID 154610989) has the molecular formula C47H27N5OPt and a molecular weight of 872.85 g/mol.

Molecular Properties

Compound NameCID 154610989
PubChem CID154610989
Molecular FormulaC47H27N5OPt
Molecular Weight872.85 g/mol
Exact Mass872.19
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1c(-c3ccccc3)cc(-c3ccccc3)cc21
InChIInChI=1S/C47H27N5O.Pt/c1-4-11-30(12-5-1)33-25-38(31-13-6-2-7-14-31)45-39(26-33)36-20-18-34(27-40(36)46-49-23-24-51(45)46)53-35-19-21-37-41(28-35)47-50-29-43(32-15-8-3-9-16-32)52(47)42-17-10-22-48-44(37)42;/h1-26,29H;/q-2;+2
InChIKeyMWQFDOJBTUSNAG-UHFFFAOYSA-N
XLogP11.38
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.85
LogP ≤ 511.38
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

CID 154610681
CID 154610681
CID 154610598
CID 154610598
9-(5,7-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-3-phenyl-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610990
CID 154610649
CID 154610649
CID 154610613
CID 154610613
CID 154610679
CID 154610679
CID 164704097
CID 164704097
CID 164703846
CID 164703846
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 163899118
CID 163899118
CID 163789378
CID 163789378
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 154610989?
The IUPAC name of CID 154610989 (CID 154610989) is not available.
What is the SMILES notation for CID 154610989?
The canonical SMILES for CID 154610989 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2c(-c4ccccc4)cnc32)ccc2c1c1nccn1c1c(-c3ccccc3)cc(-c3ccccc3)cc21.
What is the InChIKey of CID 154610989?
The InChIKey is MWQFDOJBTUSNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5O.Pt/c1-4-11-30(12-5-1)33-25-38(31-13-6-2-7-14-31)45-39(26-33)36-20-18-34(27-40(36)46-49-23-24-51(45)46)53-35-19-21-37-41(28-35)47-50-29-43(32-15-8-3-9-16-32)52(47)42-17-10-22-48-44(37)42;/h1-26,29H;/q-2;+2.
What are the key properties of CID 154610989?
CID 154610989 has a molecular weight of 872.85 g/mol, XLogP of 11.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610989 is sourced from PubChem (CID 154610989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).