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

C40H26Br4N4 — CID 57326785

IUPAC3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
SMILESBrc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(Br)cc45)c4c[nH]c5ccc(Br)cc45)cc3)c3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C40H26Br4N4/c41-23-5-9-35-27(13-23)31(17-45-35)39(32-18-46-36-10-6-24(42)14-28(32)36)21-1-2-22(4-3-21)40(33-19-47-37-11-7-25(43)15-29(33)37)34-20-48-38-12-8-26(44)16-30(34)38/h1-20,39-40,45-48H
InChIKeyPJAPMGSDHIYRGW-UHFFFAOYSA-N
MW882.29 g/mol
LogP13.02
Rot. Bonds6

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

3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole (PubChem CID 57326785) has the molecular formula C40H26Br4N4 and a molecular weight of 882.29 g/mol. Its IUPAC name is 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole.

Molecular Properties

Compound Name3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
PubChem CID57326785
Molecular FormulaC40H26Br4N4
Molecular Weight882.29 g/mol
Exact Mass877.89
IUPAC Name3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
SMILESBrc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(Br)cc45)c4c[nH]c5ccc(Br)cc45)cc3)c3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C40H26Br4N4/c41-23-5-9-35-27(13-23)31(17-45-35)39(32-18-46-36-10-6-24(42)14-28(32)36)21-1-2-22(4-3-21)40(33-19-47-37-11-7-25(43)15-29(33)37)34-20-48-38-12-8-26(44)16-30(34)38/h1-20,39-40,45-48H
InChIKeyPJAPMGSDHIYRGW-UHFFFAOYSA-N
XLogP13.02
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.29
LogP ≤ 513.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole?
The IUPAC name of 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole (CID 57326785) is 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole.
What is the SMILES notation for 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole?
The canonical SMILES for 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole is Brc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(Br)cc45)c4c[nH]c5ccc(Br)cc45)cc3)c3c[nH]c4ccc(Br)cc34)c2c1.
What is the InChIKey of 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole?
The InChIKey is PJAPMGSDHIYRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26Br4N4/c41-23-5-9-35-27(13-23)31(17-45-35)39(32-18-46-36-10-6-24(42)14-28(32)36)21-1-2-22(4-3-21)40(33-19-47-37-11-7-25(43)15-29(33)37)34-20-48-38-12-8-26(44)16-30(34)38/h1-20,39-40,45-48H.
What are the key properties of 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole?
3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole has a molecular weight of 882.29 g/mol, XLogP of 13.02, 6 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole is sourced from PubChem (CID 57326785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).