CID 154610679

C35H19N5OPt — CID 154610679

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c(-c4ccccc4)cccc2n2ccnc32)ccc2c1c1nccn1c1cccnc21
InChIInChI=1S/C35H19N5O.Pt/c1-2-6-22(7-3-1)25-8-4-9-30-32(25)26-13-11-23(20-28(26)34-37-16-18-39(30)34)41-24-12-14-27-29(21-24)35-38-17-19-40(35)31-10-5-15-36-33(27)31;/h1-19H;/q-2;+2
InChIKeyMPVASQZQMTUHHX-UHFFFAOYSA-N
MW720.65 g/mol
LogP8.05
Rot. Bonds3

About CID 154610679

CID 154610679 (PubChem CID 154610679) has the molecular formula C35H19N5OPt and a molecular weight of 720.65 g/mol.

Molecular Properties

Compound NameCID 154610679
PubChem CID154610679
Molecular FormulaC35H19N5OPt
Molecular Weight720.65 g/mol
Exact Mass720.12
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c(-c4ccccc4)cccc2n2ccnc32)ccc2c1c1nccn1c1cccnc21
InChIInChI=1S/C35H19N5O.Pt/c1-2-6-22(7-3-1)25-8-4-9-30-32(25)26-13-11-23(20-28(26)34-37-16-18-39(30)34)41-24-12-14-27-29(21-24)35-38-17-19-40(35)31-10-5-15-36-33(27)31;/h1-19H;/q-2;+2
InChIKeyMPVASQZQMTUHHX-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

CID 154610649
CID 154610649
CID 154610681
CID 154610681
CID 154610989
CID 154610989
CID 159136918
CID 159136918
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
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
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-(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
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-[[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 164703913
CID 164703913
CID 154611242
CID 154611242

Frequently Asked Questions

What is the IUPAC name of CID 154610679?
The IUPAC name of CID 154610679 (CID 154610679) is not available.
What is the SMILES notation for CID 154610679?
The canonical SMILES for CID 154610679 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c(-c4ccccc4)cccc2n2ccnc32)ccc2c1c1nccn1c1cccnc21.
What is the InChIKey of CID 154610679?
The InChIKey is MPVASQZQMTUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N5O.Pt/c1-2-6-22(7-3-1)25-8-4-9-30-32(25)26-13-11-23(20-28(26)34-37-16-18-39(30)34)41-24-12-14-27-29(21-24)35-38-17-19-40(35)31-10-5-15-36-33(27)31;/h1-19H;/q-2;+2.
What are the key properties of CID 154610679?
CID 154610679 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 154610679 is sourced from PubChem (CID 154610679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).