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

C43H37N5O4 — CID 127035571

IUPAC3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)n3)c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C43H37N5O4/c1-49-24-8-12-36-28(16-24)32(20-44-36)42(33-21-45-37-13-9-25(50-2)17-29(33)37)40-6-5-7-41(48-40)43(34-22-46-38-14-10-26(51-3)18-30(34)38)35-23-47-39-15-11-27(52-4)19-31(35)39/h5-23,42-47H,1-4H3
InChIKeyVFNFRHSGHFFVQF-UHFFFAOYSA-N
MW687.80 g/mol
LogP9.40
Rot. Bonds10

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

3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole (PubChem CID 127035571) has the molecular formula C43H37N5O4 and a molecular weight of 687.80 g/mol. Its IUPAC name is 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
PubChem CID127035571
Molecular FormulaC43H37N5O4
Molecular Weight687.80 g/mol
Exact Mass687.28
IUPAC Name3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)n3)c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C43H37N5O4/c1-49-24-8-12-36-28(16-24)32(20-44-36)42(33-21-45-37-13-9-25(50-2)17-29(33)37)40-6-5-7-41(48-40)43(34-22-46-38-14-10-26(51-3)18-30(34)38)35-23-47-39-15-11-27(52-4)19-31(35)39/h5-23,42-47H,1-4H3
InChIKeyVFNFRHSGHFFVQF-UHFFFAOYSA-N
XLogP9.40
TPSA112.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.80
LogP ≤ 59.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole (CID 127035571) is 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)n3)c3c[nH]c4ccc(OC)cc34)c2c1.
What is the InChIKey of 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The InChIKey is VFNFRHSGHFFVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N5O4/c1-49-24-8-12-36-28(16-24)32(20-44-36)42(33-21-45-37-13-9-25(50-2)17-29(33)37)40-6-5-7-41(48-40)43(34-22-46-38-14-10-26(51-3)18-30(34)38)35-23-47-39-15-11-27(52-4)19-31(35)39/h5-23,42-47H,1-4H3.
What are the key properties of 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole has a molecular weight of 687.80 g/mol, XLogP of 9.40, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 127035571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).