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

C39H29N5 — CID 127035572

IUPAC3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)nc3)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C39H29N5/c1-5-13-33-25(9-1)29(20-41-33)38(30-21-42-34-14-6-2-10-26(30)34)24-17-18-37(40-19-24)39(31-22-43-35-15-7-3-11-27(31)35)32-23-44-36-16-8-4-12-28(32)36/h1-23,38-39,41-44H
InChIKeyGXRKXPDLYKXDKL-UHFFFAOYSA-N
MW567.70 g/mol
LogP9.37
Rot. Bonds6

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

3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 127035572) has the molecular formula C39H29N5 and a molecular weight of 567.70 g/mol. Its IUPAC name is 3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
PubChem CID127035572
Molecular FormulaC39H29N5
Molecular Weight567.70 g/mol
Exact Mass567.24
IUPAC Name3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)nc3)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C39H29N5/c1-5-13-33-25(9-1)29(20-41-33)38(30-21-42-34-14-6-2-10-26(30)34)24-17-18-37(40-19-24)39(31-22-43-35-15-7-3-11-27(31)35)32-23-44-36-16-8-4-12-28(32)36/h1-23,38-39,41-44H
InChIKeyGXRKXPDLYKXDKL-UHFFFAOYSA-N
XLogP9.37
TPSA76.05 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.70
LogP ≤ 59.37
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]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole (CID 127035572) is 3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole is c1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)nc3)c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is GXRKXPDLYKXDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N5/c1-5-13-33-25(9-1)29(20-41-33)38(30-21-42-34-14-6-2-10-26(30)34)24-17-18-37(40-19-24)39(31-22-43-35-15-7-3-11-27(31)35)32-23-44-36-16-8-4-12-28(32)36/h1-23,38-39,41-44H.
What are the key properties of 3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole?
3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 567.70 g/mol, XLogP of 9.37, 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]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 127035572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).