3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole

C38H28N4S — CID 57326687

IUPAC3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)s3)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C38H28N4S/c1-5-13-31-23(9-1)27(19-39-31)37(28-20-40-32-14-6-2-10-24(28)32)35-17-18-36(43-35)38(29-21-41-33-15-7-3-11-25(29)33)30-22-42-34-16-8-4-12-26(30)34/h1-22,37-42H
InChIKeySYPFZEWDAVFDES-UHFFFAOYSA-N
MW572.74 g/mol
LogP10.03
Rot. Bonds6

About 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole

3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 57326687) has the molecular formula C38H28N4S and a molecular weight of 572.74 g/mol. Its IUPAC name is 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole
PubChem CID57326687
Molecular FormulaC38H28N4S
Molecular Weight572.74 g/mol
Exact Mass572.20
IUPAC Name3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)s3)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C38H28N4S/c1-5-13-31-23(9-1)27(19-39-31)37(28-20-40-32-14-6-2-10-24(28)32)35-17-18-36(43-35)38(29-21-41-33-15-7-3-11-25(29)33)30-22-42-34-16-8-4-12-26(30)34/h1-22,37-42H
InChIKeySYPFZEWDAVFDES-UHFFFAOYSA-N
XLogP10.03
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 510.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole (CID 57326687) is 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole is c1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)s3)c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is SYPFZEWDAVFDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4S/c1-5-13-31-23(9-1)27(19-39-31)37(28-20-40-32-14-6-2-10-24(28)32)35-17-18-36(43-35)38(29-21-41-33-15-7-3-11-25(29)33)30-22-42-34-16-8-4-12-26(30)34/h1-22,37-42H.
What are the key properties of 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole?
3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 572.74 g/mol, XLogP of 10.03, 6 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 57326687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).