6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine

C26H17BrN2 — CID 144876877

IUPAC6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine
SMILESC=Cc1ccc2c(-c3ccc(Br)c4cccnc34)nc3ccccc3c2c1C=C
InChIInChI=1S/C26H17BrN2/c1-3-16-11-12-20-24(17(16)4-2)19-8-5-6-10-23(19)29-26(20)21-13-14-22(27)18-9-7-15-28-25(18)21/h3-15H,1-2H2
InChIKeyMOOBDXJJVOEUTN-UHFFFAOYSA-N
MW437.34 g/mol
LogP7.65
Rot. Bonds3

About 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine

6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine (PubChem CID 144876877) has the molecular formula C26H17BrN2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine.

Molecular Properties

Compound Name6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine
PubChem CID144876877
Molecular FormulaC26H17BrN2
Molecular Weight437.34 g/mol
Exact Mass436.06
IUPAC Name6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine
SMILESC=Cc1ccc2c(-c3ccc(Br)c4cccnc34)nc3ccccc3c2c1C=C
InChIInChI=1S/C26H17BrN2/c1-3-16-11-12-20-24(17(16)4-2)19-8-5-6-10-23(19)29-26(20)21-13-14-22(27)18-9-7-15-28-25(18)21/h3-15H,1-2H2
InChIKeyMOOBDXJJVOEUTN-UHFFFAOYSA-N
XLogP7.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 57.65
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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Related Compounds

6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665365
6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665547
6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665500
4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
CID 112618374
5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene
CID 161310504
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
CID 118861987
5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
CID 115959843
3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
CID 112618266
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146231307
6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol
CID 146549143
7-(4-dibenzofuran-4-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471900

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine?
The IUPAC name of 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine (CID 144876877) is 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine.
What is the SMILES notation for 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine?
The canonical SMILES for 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine is C=Cc1ccc2c(-c3ccc(Br)c4cccnc34)nc3ccccc3c2c1C=C.
What is the InChIKey of 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine?
The InChIKey is MOOBDXJJVOEUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2/c1-3-16-11-12-20-24(17(16)4-2)19-8-5-6-10-23(19)29-26(20)21-13-14-22(27)18-9-7-15-28-25(18)21/h3-15H,1-2H2.
What are the key properties of 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine?
6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine has a molecular weight of 437.34 g/mol, XLogP of 7.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine is sourced from PubChem (CID 144876877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).