2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline

C19H10BrN7 — CID 149418343

IUPAC2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline
SMILESBrc1ccc2c3nc(-c4cccc5n[nH]nc45)nc3c3cccnc3c2[nH]1
InChIInChI=1S/C19H10BrN7/c20-13-7-6-10-16(22-13)15-9(4-2-8-21-15)17-18(10)24-19(23-17)11-3-1-5-12-14(11)26-27-25-12/h1-8,22H,(H,25,26,27)
InChIKeyUJWQOBGSHGUDFJ-UHFFFAOYSA-N
MW416.24 g/mol
LogP4.36
Rot. Bonds1

About 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline

2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 149418343) has the molecular formula C19H10BrN7 and a molecular weight of 416.24 g/mol. Its IUPAC name is 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID149418343
Molecular FormulaC19H10BrN7
Molecular Weight416.24 g/mol
Exact Mass415.02
IUPAC Name2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline
SMILESBrc1ccc2c3nc(-c4cccc5n[nH]nc45)nc3c3cccnc3c2[nH]1
InChIInChI=1S/C19H10BrN7/c20-13-7-6-10-16(22-13)15-9(4-2-8-21-15)17-18(10)24-19(23-17)11-3-1-5-12-14(11)26-27-25-12/h1-8,22H,(H,25,26,27)
InChIKeyUJWQOBGSHGUDFJ-UHFFFAOYSA-N
XLogP4.36
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline
CID 136675185
N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine
CID 121377287
2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 175295426
6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665365
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
5-methyl-2H-triazolo[4,5-h]quinoline
CID 58517629
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
9-ethoxy-2,5,17,23,26-pentazaheptacyclo[16.12.0.03,16.04,13.06,11.019,24.025,30]triaconta-1(30),2,4,6(11),7,9,13,15,18,20,22,24,26,28-tetradecaen-12-one
CID 136740066
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
CID 175822709
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline (CID 149418343) is 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline is Brc1ccc2c3nc(-c4cccc5n[nH]nc45)nc3c3cccnc3c2[nH]1.
What is the InChIKey of 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is UJWQOBGSHGUDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrN7/c20-13-7-6-10-16(22-13)15-9(4-2-8-21-15)17-18(10)24-19(23-17)11-3-1-5-12-14(11)26-27-25-12/h1-8,22H,(H,25,26,27).
What are the key properties of 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline?
2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 416.24 g/mol, XLogP of 4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 149418343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).