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

C40H30N4 — CID 15637613

IUPAC3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)cc3)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C40H30N4/c1-5-13-35-27(9-1)31(21-41-35)39(32-22-42-36-14-6-2-10-28(32)36)25-17-19-26(20-18-25)40(33-23-43-37-15-7-3-11-29(33)37)34-24-44-38-16-8-4-12-30(34)38/h1-24,39-44H
InChIKeyWXDKCQHSHTVHGL-UHFFFAOYSA-N
MW566.71 g/mol
LogP9.97
Rot. Bonds6

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

3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 15637613) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
PubChem CID15637613
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)cc3)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C40H30N4/c1-5-13-35-27(9-1)31(21-41-35)39(32-22-42-36-14-6-2-10-28(32)36)25-17-19-26(20-18-25)40(33-23-43-37-15-7-3-11-29(33)37)34-24-44-38-16-8-4-12-30(34)38/h1-24,39-44H
InChIKeyWXDKCQHSHTVHGL-UHFFFAOYSA-N
XLogP9.97
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 59.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole (CID 15637613) is 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole is c1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)cc3)c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is WXDKCQHSHTVHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-5-13-35-27(9-1)31(21-41-35)39(32-22-42-36-14-6-2-10-28(32)36)25-17-19-26(20-18-25)40(33-23-43-37-15-7-3-11-29(33)37)34-24-44-38-16-8-4-12-30(34)38/h1-24,39-44H.
What are the key properties of 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole?
3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 566.71 g/mol, XLogP of 9.97, 6 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 15637613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).