4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline

C28H19BrN2 — CID 134689882

IUPAC4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
SMILESBrc1ccc(-c2cc(-c3ccccc3)nc3c2CCc2nc4ccccc4cc2-3)cc1
InChIInChI=1S/C28H19BrN2/c29-21-12-10-18(11-13-21)23-17-27(19-6-2-1-3-7-19)31-28-22(23)14-15-26-24(28)16-20-8-4-5-9-25(20)30-26/h1-13,16-17H,14-15H2
InChIKeyWWOABFAKSMVEFI-UHFFFAOYSA-N
MW463.38 g/mol
LogP7.49
Rot. Bonds2

About 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline

4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline (PubChem CID 134689882) has the molecular formula C28H19BrN2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
PubChem CID134689882
Molecular FormulaC28H19BrN2
Molecular Weight463.38 g/mol
Exact Mass462.07
IUPAC Name4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
SMILESBrc1ccc(-c2cc(-c3ccccc3)nc3c2CCc2nc4ccccc4cc2-3)cc1
InChIInChI=1S/C28H19BrN2/c29-21-12-10-18(11-13-21)23-17-27(19-6-2-1-3-7-19)31-28-22(23)14-15-26-24(28)16-20-8-4-5-9-25(20)30-26/h1-13,16-17H,14-15H2
InChIKeyWWOABFAKSMVEFI-UHFFFAOYSA-N
XLogP7.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-phenyl-5H-chromeno[4,3-b]pyridine
CID 22333272
4-(4-chlorophenyl)-2-phenyl-5,6-dihydrobenzo[h]quinoline
CID 3736312
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine
CID 22333276
4-(4-bromophenyl)acridine
CID 23088551
3-phenylquinolin-2-amine;hydrochloride
CID 43865994
2-(4-hydroxyphenyl)-4-phenyl-5H-indeno[1,2-b]pyridin-8-ol
CID 155533192
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-ylquinoline
CID 142621894
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline?
The IUPAC name of 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline (CID 134689882) is 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline.
What is the SMILES notation for 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline?
The canonical SMILES for 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline is Brc1ccc(-c2cc(-c3ccccc3)nc3c2CCc2nc4ccccc4cc2-3)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline?
The InChIKey is WWOABFAKSMVEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrN2/c29-21-12-10-18(11-13-21)23-17-27(19-6-2-1-3-7-19)31-28-22(23)14-15-26-24(28)16-20-8-4-5-9-25(20)30-26/h1-13,16-17H,14-15H2.
What are the key properties of 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline?
4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline has a molecular weight of 463.38 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline is sourced from PubChem (CID 134689882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).