3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole

C25H21BrN2O2 — CID 73348813

IUPAC3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(c3ccc(Br)cc3)c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C25H21BrN2O2/c1-29-17-7-9-23-19(11-17)21(13-27-23)25(15-3-5-16(26)6-4-15)22-14-28-24-10-8-18(30-2)12-20(22)24/h3-14,25,27-28H,1-2H3
InChIKeyUVUPXGHHULSYLD-UHFFFAOYSA-N
MW461.36 g/mol
LogP6.61
Rot. Bonds5

About 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole

3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole (PubChem CID 73348813) has the molecular formula C25H21BrN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
PubChem CID73348813
Molecular FormulaC25H21BrN2O2
Molecular Weight461.36 g/mol
Exact Mass460.08
IUPAC Name3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(c3ccc(Br)cc3)c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C25H21BrN2O2/c1-29-17-7-9-23-19(11-17)21(13-27-23)25(15-3-5-16(26)6-4-15)22-14-28-24-10-8-18(30-2)12-20(22)24/h3-14,25,27-28H,1-2H3
InChIKeyUVUPXGHHULSYLD-UHFFFAOYSA-N
XLogP6.61
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole (CID 73348813) is 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C(c3ccc(Br)cc3)c3c[nH]c4ccc(OC)cc34)c2c1.
What is the InChIKey of 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The InChIKey is UVUPXGHHULSYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O2/c1-29-17-7-9-23-19(11-17)21(13-27-23)25(15-3-5-16(26)6-4-15)22-14-28-24-10-8-18(30-2)12-20(22)24/h3-14,25,27-28H,1-2H3.
What are the key properties of 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole has a molecular weight of 461.36 g/mol, XLogP of 6.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 73348813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).