CID 153277945

C19H10FIrN2- — CID 153277945

IUPAC—
SMILESFc1c[c-]c2c(c1)c1ccccc1n1c3ccccc3nc21.[Ir]
InChIInChI=1S/C19H10FN2.Ir/c20-12-9-10-14-15(11-12)13-5-1-3-7-17(13)22-18-8-4-2-6-16(18)21-19(14)22;/h1-9,11H;/q-1;
InChIKeyFLJLSXJPPZCMCP-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.73
Rot. Bonds

About CID 153277945

CID 153277945 (PubChem CID 153277945) has the molecular formula C19H10FIrN2- and a molecular weight of 477.52 g/mol.

Molecular Properties

Compound NameCID 153277945
PubChem CID153277945
Molecular FormulaC19H10FIrN2-
Molecular Weight477.52 g/mol
Exact Mass478.05
IUPAC Name—
SMILESFc1c[c-]c2c(c1)c1ccccc1n1c3ccccc3nc21.[Ir]
InChIInChI=1S/C19H10FN2.Ir/c20-12-9-10-14-15(11-12)13-5-1-3-7-17(13)22-18-8-4-2-6-16(18)21-19(14)22;/h1-9,11H;/q-1;
InChIKeyFLJLSXJPPZCMCP-UHFFFAOYSA-N
XLogP4.73
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 58163129
CID 58163129
4,19-difluoro-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2(7),3,5,9,11,13,15,17(22),18,20,24,26,28-tetradecaene;ethane
CID 145133212
2,9,17-triazaheptacyclo[15.10.1.02,10.03,8.011,16.018,23.024,28]octacosa-1(27),3,5,7,9,11,13,15,18,20,22,24(28),25-tridecaene
CID 164734138
13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11,13,15,18,20,22,24,26,28-tetradecaene
CID 139436188
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346
CID 158880912
CID 158880912
5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 142519126
7,17-diphenyl-7,17,22,29-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30,32,34-hexadecaene
CID 140956548
11-bromo-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 90432258
3-fluoro-6-(2,4,6-trimethylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 140604474
10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)naphthalen-1-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58281870

Frequently Asked Questions

What is the IUPAC name of CID 153277945?
The IUPAC name of CID 153277945 (CID 153277945) is not available.
What is the SMILES notation for CID 153277945?
The canonical SMILES for CID 153277945 is Fc1c[c-]c2c(c1)c1ccccc1n1c3ccccc3nc21.[Ir].
What is the InChIKey of CID 153277945?
The InChIKey is FLJLSXJPPZCMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FN2.Ir/c20-12-9-10-14-15(11-12)13-5-1-3-7-17(13)22-18-8-4-2-6-16(18)21-19(14)22;/h1-9,11H;/q-1;.
What are the key properties of CID 153277945?
CID 153277945 has a molecular weight of 477.52 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153277945 is sourced from PubChem (CID 153277945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).