3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole

C44H38N4O4 — CID 57326788

IUPAC3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)cc3)c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C44H38N4O4/c1-49-27-9-13-39-31(17-27)35(21-45-39)43(36-22-46-40-14-10-28(50-2)18-32(36)40)25-5-7-26(8-6-25)44(37-23-47-41-15-11-29(51-3)19-33(37)41)38-24-48-42-16-12-30(52-4)20-34(38)42/h5-24,43-48H,1-4H3
InChIKeyOHMRSZUONFFDAU-UHFFFAOYSA-N
MW686.81 g/mol
LogP10.01
Rot. Bonds10

About 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole

3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole (PubChem CID 57326788) has the molecular formula C44H38N4O4 and a molecular weight of 686.81 g/mol. Its IUPAC name is 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
PubChem CID57326788
Molecular FormulaC44H38N4O4
Molecular Weight686.81 g/mol
Exact Mass686.29
IUPAC Name3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)cc3)c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C44H38N4O4/c1-49-27-9-13-39-31(17-27)35(21-45-39)43(36-22-46-40-14-10-28(50-2)18-32(36)40)25-5-7-26(8-6-25)44(37-23-47-41-15-11-29(51-3)19-33(37)41)38-24-48-42-16-12-30(52-4)20-34(38)42/h5-24,43-48H,1-4H3
InChIKeyOHMRSZUONFFDAU-UHFFFAOYSA-N
XLogP10.01
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 510.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole (CID 57326788) is 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)cc3)c3c[nH]c4ccc(OC)cc34)c2c1.
What is the InChIKey of 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
The InChIKey is OHMRSZUONFFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38N4O4/c1-49-27-9-13-39-31(17-27)35(21-45-39)43(36-22-46-40-14-10-28(50-2)18-32(36)40)25-5-7-26(8-6-25)44(37-23-47-41-15-11-29(51-3)19-33(37)41)38-24-48-42-16-12-30(52-4)20-34(38)42/h5-24,43-48H,1-4H3.
What are the key properties of 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole?
3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole has a molecular weight of 686.81 g/mol, XLogP of 10.01, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 57326788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).