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

C24H18Br2N2O — CID 90671324

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H18Br2N2O/c1-29-23-5-3-2-4-16(23)24(19-12-27-21-8-6-14(25)10-17(19)21)20-13-28-22-9-7-15(26)11-18(20)22/h2-13,24,27-28H,1H3
InChIKeyFMEYJHWWNORQTD-UHFFFAOYSA-N
MW510.23 g/mol
LogP7.36
Rot. Bonds4

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

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole (PubChem CID 90671324) has the molecular formula C24H18Br2N2O and a molecular weight of 510.23 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole
PubChem CID90671324
Molecular FormulaC24H18Br2N2O
Molecular Weight510.23 g/mol
Exact Mass507.98
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H18Br2N2O/c1-29-23-5-3-2-4-16(23)24(19-12-27-21-8-6-14(25)10-17(19)21)20-13-28-22-9-7-15(26)11-18(20)22/h2-13,24,27-28H,1H3
InChIKeyFMEYJHWWNORQTD-UHFFFAOYSA-N
XLogP7.36
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.23
LogP ≤ 57.36
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)-(2-methoxyphenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole (CID 90671324) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole is COc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole?
The InChIKey is FMEYJHWWNORQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2O/c1-29-23-5-3-2-4-16(23)24(19-12-27-21-8-6-14(25)10-17(19)21)20-13-28-22-9-7-15(26)11-18(20)22/h2-13,24,27-28H,1H3.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole has a molecular weight of 510.23 g/mol, XLogP of 7.36, 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)-(2-methoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 90671324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).