3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole

C39H25Cl4N5 — CID 127035942

IUPAC3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
SMILESClc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(Cl)cc45)c4c[nH]c5ccc(Cl)cc45)n3)c3c[nH]c4ccc(Cl)cc34)c2c1
InChIInChI=1S/C39H25Cl4N5/c40-20-4-8-32-24(12-20)28(16-44-32)38(29-17-45-33-9-5-21(41)13-25(29)33)36-2-1-3-37(48-36)39(30-18-46-34-10-6-22(42)14-26(30)34)31-19-47-35-11-7-23(43)15-27(31)35/h1-19,38-39,44-47H
InChIKeyOJVFBJPZEBTDAO-UHFFFAOYSA-N
MW705.48 g/mol
LogP11.98
Rot. Bonds6

About 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole

3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole (PubChem CID 127035942) has the molecular formula C39H25Cl4N5 and a molecular weight of 705.48 g/mol. Its IUPAC name is 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole.

Molecular Properties

Compound Name3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
PubChem CID127035942
Molecular FormulaC39H25Cl4N5
Molecular Weight705.48 g/mol
Exact Mass703.09
IUPAC Name3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
SMILESClc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(Cl)cc45)c4c[nH]c5ccc(Cl)cc45)n3)c3c[nH]c4ccc(Cl)cc34)c2c1
InChIInChI=1S/C39H25Cl4N5/c40-20-4-8-32-24(12-20)28(16-44-32)38(29-17-45-33-9-5-21(41)13-25(29)33)36-2-1-3-37(48-36)39(30-18-46-34-10-6-22(42)14-26(30)34)31-19-47-35-11-7-23(43)15-27(31)35/h1-19,38-39,44-47H
InChIKeyOJVFBJPZEBTDAO-UHFFFAOYSA-N
XLogP11.98
TPSA76.05 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.48
LogP ≤ 511.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole?
The IUPAC name of 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole (CID 127035942) is 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole.
What is the SMILES notation for 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole?
The canonical SMILES for 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole is Clc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(Cl)cc45)c4c[nH]c5ccc(Cl)cc45)n3)c3c[nH]c4ccc(Cl)cc34)c2c1.
What is the InChIKey of 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole?
The InChIKey is OJVFBJPZEBTDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25Cl4N5/c40-20-4-8-32-24(12-20)28(16-44-32)38(29-17-45-33-9-5-21(41)13-25(29)33)36-2-1-3-37(48-36)39(30-18-46-34-10-6-22(42)14-26(30)34)31-19-47-35-11-7-23(43)15-27(31)35/h1-19,38-39,44-47H.
What are the key properties of 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole?
3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole has a molecular weight of 705.48 g/mol, XLogP of 11.98, 6 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole is sourced from PubChem (CID 127035942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).