phenanthrene;quinazoline

C22H16N2 — CID 175352249

IUPACphenanthrene;quinazoline
SMILESc1ccc2c(c1)ccc1ccccc12.c1ccc2ncncc2c1
InChIInChI=1S/C14H10.C8H6N2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-8-7(3-1)5-9-6-10-8/h1-10H;1-6H
InChIKeyDLMWEPFQQBVUIE-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.62
Rot. Bonds

About phenanthrene;quinazoline

phenanthrene;quinazoline (PubChem CID 175352249) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is phenanthrene;quinazoline.

Molecular Properties

Compound Namephenanthrene;quinazoline
PubChem CID175352249
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Namephenanthrene;quinazoline
SMILESc1ccc2c(c1)ccc1ccccc12.c1ccc2ncncc2c1
InChIInChI=1S/C14H10.C8H6N2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-8-7(3-1)5-9-6-10-8/h1-10H;1-6H
InChIKeyDLMWEPFQQBVUIE-UHFFFAOYSA-N
XLogP5.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenanthrene;quinazoline?
The IUPAC name of phenanthrene;quinazoline (CID 175352249) is phenanthrene;quinazoline.
What is the SMILES notation for phenanthrene;quinazoline?
The canonical SMILES for phenanthrene;quinazoline is c1ccc2c(c1)ccc1ccccc12.c1ccc2ncncc2c1.
What is the InChIKey of phenanthrene;quinazoline?
The InChIKey is DLMWEPFQQBVUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C8H6N2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-8-7(3-1)5-9-6-10-8/h1-10H;1-6H.
What are the key properties of phenanthrene;quinazoline?
phenanthrene;quinazoline has a molecular weight of 308.38 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene;quinazoline is sourced from PubChem (CID 175352249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).