5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole

C24H17Br3N2O — CID 73349304

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(Br)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H17Br3N2O/c1-30-23-7-4-15(27)10-18(23)24(19-11-28-21-5-2-13(25)8-16(19)21)20-12-29-22-6-3-14(26)9-17(20)22/h2-12,24,28-29H,1H3
InChIKeyCNAUBVUJOYTJJM-UHFFFAOYSA-N
MW589.13 g/mol
LogP8.13
Rot. Bonds4

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole (PubChem CID 73349304) has the molecular formula C24H17Br3N2O and a molecular weight of 589.13 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole
PubChem CID73349304
Molecular FormulaC24H17Br3N2O
Molecular Weight589.13 g/mol
Exact Mass585.89
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(Br)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H17Br3N2O/c1-30-23-7-4-15(27)10-18(23)24(19-11-28-21-5-2-13(25)8-16(19)21)20-12-29-22-6-3-14(26)9-17(20)22/h2-12,24,28-29H,1H3
InChIKeyCNAUBVUJOYTJJM-UHFFFAOYSA-N
XLogP8.13
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.13
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole (CID 73349304) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole is COc1ccc(Br)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole?
The InChIKey is CNAUBVUJOYTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br3N2O/c1-30-23-7-4-15(27)10-18(23)24(19-11-28-21-5-2-13(25)8-16(19)21)20-12-29-22-6-3-14(26)9-17(20)22/h2-12,24,28-29H,1H3.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole has a molecular weight of 589.13 g/mol, XLogP of 8.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(5-bromo-2-methoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 73349304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).