3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide

C26H22BrN2- — CID 21222078

IUPAC3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide
SMILESC1=CN(Cc2ccccc2)CC=C1c1cn(-c2ccccc2)c2ccccc12.[Br-]
InChIInChI=1S/C26H22N2.BrH/c1-3-9-21(10-4-1)19-27-17-15-22(16-18-27)25-20-28(23-11-5-2-6-12-23)26-14-8-7-13-24(25)26;/h1-17,20H,18-19H2;1H/p-1
InChIKeyVLQDAGCZIKLPFF-UHFFFAOYSA-M
MW442.38 g/mol
LogP3.05
Rot. Bonds4

About 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide

3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide (PubChem CID 21222078) has the molecular formula C26H22BrN2- and a molecular weight of 442.38 g/mol. Its IUPAC name is 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide.

Molecular Properties

Compound Name3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide
PubChem CID21222078
Molecular FormulaC26H22BrN2-
Molecular Weight442.38 g/mol
Exact Mass441.10
IUPAC Name3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide
SMILESC1=CN(Cc2ccccc2)CC=C1c1cn(-c2ccccc2)c2ccccc12.[Br-]
InChIInChI=1S/C26H22N2.BrH/c1-3-9-21(10-4-1)19-27-17-15-22(16-18-27)25-20-28(23-11-5-2-6-12-23)26-14-8-7-13-24(25)26;/h1-17,20H,18-19H2;1H/p-1
InChIKeyVLQDAGCZIKLPFF-UHFFFAOYSA-M
XLogP3.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-methoxy-2H-pyridine
CID 131167872
1-benzyl-2H-pyridine-4-carboxamide
CID 13227960
5-bromo-3-[1-[(3-chlorophenyl)methyl]-2H-pyridin-4-yl]-1-sulfanylpyrrolo[2,3-b]pyridine
CID 129162974
(1-benzyl-2H-pyridin-4-yl)-phenylmethanone
CID 20805356
2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide
CID 67320764
1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole
CID 59356860
3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole
CID 140713295
1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole
CID 59307614
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
3-[(3-ethoxyphenyl)methyl]-1-phenylindole
CID 26367926
1-phenyl-3-(trifluoromethylsulfonyl)indole
CID 71715571
9-[2-[3-(2-carbazol-9-ylphenyl)-1-phenylindol-5-yl]phenyl]carbazole
CID 58121778

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide?
The IUPAC name of 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide (CID 21222078) is 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide.
What is the SMILES notation for 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide?
The canonical SMILES for 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide is C1=CN(Cc2ccccc2)CC=C1c1cn(-c2ccccc2)c2ccccc12.[Br-].
What is the InChIKey of 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide?
The InChIKey is VLQDAGCZIKLPFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H22N2.BrH/c1-3-9-21(10-4-1)19-27-17-15-22(16-18-27)25-20-28(23-11-5-2-6-12-23)26-14-8-7-13-24(25)26;/h1-17,20H,18-19H2;1H/p-1.
What are the key properties of 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide?
3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide has a molecular weight of 442.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2H-pyridin-4-yl)-1-phenylindole bromide is sourced from PubChem (CID 21222078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).