5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole

C23H15Br2N3O2 — CID 11478003

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole
SMILESO=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H15Br2N3O2/c24-14-3-7-21-17(9-14)19(11-26-21)23(13-1-5-16(6-2-13)28(29)30)20-12-27-22-8-4-15(25)10-18(20)22/h1-12,23,26-27H
InChIKeyAPNJMELRUSUTPG-UHFFFAOYSA-N
MW525.20 g/mol
LogP7.26
Rot. Bonds4

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole (PubChem CID 11478003) has the molecular formula C23H15Br2N3O2 and a molecular weight of 525.20 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole
PubChem CID11478003
Molecular FormulaC23H15Br2N3O2
Molecular Weight525.20 g/mol
Exact Mass522.95
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole
SMILESO=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H15Br2N3O2/c24-14-3-7-21-17(9-14)19(11-26-21)23(13-1-5-16(6-2-13)28(29)30)20-12-27-22-8-4-15(25)10-18(20)22/h1-12,23,26-27H
InChIKeyAPNJMELRUSUTPG-UHFFFAOYSA-N
XLogP7.26
TPSA74.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.20
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole (CID 11478003) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole is O=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole?
The InChIKey is APNJMELRUSUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2N3O2/c24-14-3-7-21-17(9-14)19(11-26-21)23(13-1-5-16(6-2-13)28(29)30)20-12-27-22-8-4-15(25)10-18(20)22/h1-12,23,26-27H.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole has a molecular weight of 525.20 g/mol, XLogP of 7.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-1H-indole is sourced from PubChem (CID 11478003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).