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

C25H20Br2N2O2 — CID 11376128

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1OC
InChIInChI=1S/C25H20Br2N2O2/c1-30-23-8-3-14(9-24(23)31-2)25(19-12-28-21-6-4-15(26)10-17(19)21)20-13-29-22-7-5-16(27)11-18(20)22/h3-13,25,28-29H,1-2H3
InChIKeyVRVAJWQPUHFSCK-UHFFFAOYSA-N
MW540.26 g/mol
LogP7.37
Rot. Bonds5

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

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole (PubChem CID 11376128) has the molecular formula C25H20Br2N2O2 and a molecular weight of 540.26 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole
PubChem CID11376128
Molecular FormulaC25H20Br2N2O2
Molecular Weight540.26 g/mol
Exact Mass537.99
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1OC
InChIInChI=1S/C25H20Br2N2O2/c1-30-23-8-3-14(9-24(23)31-2)25(19-12-28-21-6-4-15(26)10-17(19)21)20-13-29-22-7-5-16(27)11-18(20)22/h3-13,25,28-29H,1-2H3
InChIKeyVRVAJWQPUHFSCK-UHFFFAOYSA-N
XLogP7.37
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.26
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole (CID 11376128) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole is COc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1OC.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole?
The InChIKey is VRVAJWQPUHFSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Br2N2O2/c1-30-23-8-3-14(9-24(23)31-2)25(19-12-28-21-6-4-15(26)10-17(19)21)20-13-29-22-7-5-16(27)11-18(20)22/h3-13,25,28-29H,1-2H3.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole has a molecular weight of 540.26 g/mol, XLogP of 7.37, 5 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)-(3,4-dimethoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 11376128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).