3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]

C29H19BrN4 — CID 122186885

IUPAC3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]
SMILESBrc1ccc(C2=NN(c3ccccc3)C3(C2)c2ccccc2-c2nc4ccccc4nc23)cc1
InChIInChI=1S/C29H19BrN4/c30-20-16-14-19(15-17-20)26-18-29(34(33-26)21-8-2-1-3-9-21)23-11-5-4-10-22(23)27-28(29)32-25-13-7-6-12-24(25)31-27/h1-17H,18H2
InChIKeyUXSVZBPDGUSOSK-UHFFFAOYSA-N
MW503.40 g/mol
LogP6.93
Rot. Bonds2

About 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]

3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline] (PubChem CID 122186885) has the molecular formula C29H19BrN4 and a molecular weight of 503.40 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline].

Molecular Properties

Compound Name3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]
PubChem CID122186885
Molecular FormulaC29H19BrN4
Molecular Weight503.40 g/mol
Exact Mass502.08
IUPAC Name3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]
SMILESBrc1ccc(C2=NN(c3ccccc3)C3(C2)c2ccccc2-c2nc4ccccc4nc23)cc1
InChIInChI=1S/C29H19BrN4/c30-20-16-14-19(15-17-20)26-18-29(34(33-26)21-8-2-1-3-9-21)23-11-5-4-10-22(23)27-28(29)32-25-13-7-6-12-24(25)31-27/h1-17H,18H2
InChIKeyUXSVZBPDGUSOSK-UHFFFAOYSA-N
XLogP6.93
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.40
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-(11-hydroxyindeno[1,2-b]quinoxalin-11-yl)ethanone
CID 122186882
CID 139224819
CID 139224819
3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one
CID 53356048
5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]
CID 134238107
3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole
CID 134948076
[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol
CID 72734788
8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene
CID 134998086
(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 7374228
5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 3124415
(2R)-4'-(4-bromophenyl)-5-(4-methylphenyl)-2',3-diphenylspiro[1,3,4-thiadiazole-2,1'-phthalazine]
CID 98309478
2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 122551801
2-(2,5-dibromophenyl)-3-phenylquinoxaline
CID 101356816

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]?
The IUPAC name of 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline] (CID 122186885) is 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline].
What is the SMILES notation for 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]?
The canonical SMILES for 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline] is Brc1ccc(C2=NN(c3ccccc3)C3(C2)c2ccccc2-c2nc4ccccc4nc23)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]?
The InChIKey is UXSVZBPDGUSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrN4/c30-20-16-14-19(15-17-20)26-18-29(34(33-26)21-8-2-1-3-9-21)23-11-5-4-10-22(23)27-28(29)32-25-13-7-6-12-24(25)31-27/h1-17H,18H2.
What are the key properties of 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline]?
3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline] has a molecular weight of 503.40 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-phenylspiro[4H-pyrazole-5,11'-indeno[1,2-b]quinoxaline] is sourced from PubChem (CID 122186885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).