CID 169301289

C27H19FN2 — CID 169301289

IUPAC—
SMILESCc1cccc(C)c1-n1[c-][n+]2c3c(cccc31)-c1ccccc1-c1cc(F)ccc1-2
InChIInChI=1S/C27H19FN2/c1-17-7-5-8-18(2)26(17)30-16-29-24-14-13-19(28)15-23(24)21-10-4-3-9-20(21)22-11-6-12-25(30)27(22)29/h3-15H,1-2H3
InChIKeyXSOZYFKTWDEFME-UHFFFAOYSA-N
MW390.46 g/mol
LogP6.11
Rot. Bonds1

About CID 169301289

CID 169301289 (PubChem CID 169301289) has the molecular formula C27H19FN2 and a molecular weight of 390.46 g/mol.

Molecular Properties

Compound NameCID 169301289
PubChem CID169301289
Molecular FormulaC27H19FN2
Molecular Weight390.46 g/mol
Exact Mass390.15
IUPAC Name—
SMILESCc1cccc(C)c1-n1[c-][n+]2c3c(cccc31)-c1ccccc1-c1cc(F)ccc1-2
InChIInChI=1S/C27H19FN2/c1-17-7-5-8-18(2)26(17)30-16-29-24-14-13-19(28)15-23(24)21-10-4-3-9-20(21)22-11-6-12-25(30)27(22)29/h3-15H,1-2H3
InChIKeyXSOZYFKTWDEFME-UHFFFAOYSA-N
XLogP6.11
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 169301289?
The IUPAC name of CID 169301289 (CID 169301289) is not available.
What is the SMILES notation for CID 169301289?
The canonical SMILES for CID 169301289 is Cc1cccc(C)c1-n1[c-][n+]2c3c(cccc31)-c1ccccc1-c1cc(F)ccc1-2.
What is the InChIKey of CID 169301289?
The InChIKey is XSOZYFKTWDEFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2/c1-17-7-5-8-18(2)26(17)30-16-29-24-14-13-19(28)15-23(24)21-10-4-3-9-20(21)22-11-6-12-25(30)27(22)29/h3-15H,1-2H3.
What are the key properties of CID 169301289?
CID 169301289 has a molecular weight of 390.46 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169301289 is sourced from PubChem (CID 169301289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).