2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline

C26H16N4 — CID 171732276

IUPAC2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ncc6ccccc6n5)nc4c3n2)cc1
InChIInChI=1S/C26H16N4/c1-2-6-17(7-3-1)22-14-12-18-10-11-19-13-15-23(29-25(19)24(18)28-22)26-27-16-20-8-4-5-9-21(20)30-26/h1-16H
InChIKeyKKAVSQDQPXNDGV-UHFFFAOYSA-N
MW384.44 g/mol
LogP6.06
Rot. Bonds2

About 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline

2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline (PubChem CID 171732276) has the molecular formula C26H16N4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline
PubChem CID171732276
Molecular FormulaC26H16N4
Molecular Weight384.44 g/mol
Exact Mass384.14
IUPAC Name2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ncc6ccccc6n5)nc4c3n2)cc1
InChIInChI=1S/C26H16N4/c1-2-6-17(7-3-1)22-14-12-18-10-11-19-13-15-23(29-25(19)24(18)28-22)26-27-16-20-8-4-5-9-21(20)30-26/h1-16H
InChIKeyKKAVSQDQPXNDGV-UHFFFAOYSA-N
XLogP6.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-quinazolin-2-ylquinolin-8-ol
CID 136672132
2-phenylquinazoline
CID 158733567
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline
CID 164989766
2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688203
iridium;tris(2-phenylquinoline)
CID 122129463
2-phenyl-9-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 134596769
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
4-[4-[6-(2-quinazolin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780796
2-phenylquinazoline;1H-pyrrole
CID 162097748
2-[6-(3-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688255
2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline
CID 171732037
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline (CID 171732276) is 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ncc6ccccc6n5)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline?
The InChIKey is KKAVSQDQPXNDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4/c1-2-6-17(7-3-1)22-14-12-18-10-11-19-13-15-23(29-25(19)24(18)28-22)26-27-16-20-8-4-5-9-21(20)30-26/h1-16H.
What are the key properties of 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline?
2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline has a molecular weight of 384.44 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 171732276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).