7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C64H58N4O2 — CID 21301890

IUPAC7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1ccc(-n2c(/C=C/c3ccc(/C=C/c4c(-c5cc6c7c(c5)CCCN7CCC6)n(-c5ccc(OC)cc5)c5ccccc45)cc3)c(-c3cc4c5c(c3)CCCN5CCC4)c3ccccc32)cc1
InChIInChI=1S/C64H58N4O2/c1-69-53-29-25-51(26-30-53)67-59-18-6-4-16-57(59)61(49-39-45-11-7-35-65-36-8-12-46(40-49)62(45)65)60(67)34-24-44-21-19-43(20-22-44)23-33-56-55-15-3-5-17-58(55)68(52-27-31-54(70-2)32-28-52)64(56)50-41-47-13-9-37-66-38-10-14-48(42-50)63(47)66/h3-6,15-34,39-42H,7-14,35-38H2,1-2H3/b33-23+,34-24+
InChIKeyAPDUUAMOCDEEPZ-IENBMRAWSA-N
MW915.19 g/mol
LogP14.66
Rot. Bonds10

About 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 21301890) has the molecular formula C64H58N4O2 and a molecular weight of 915.19 g/mol. Its IUPAC name is 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID21301890
Molecular FormulaC64H58N4O2
Molecular Weight915.19 g/mol
Exact Mass914.46
IUPAC Name7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1ccc(-n2c(/C=C/c3ccc(/C=C/c4c(-c5cc6c7c(c5)CCCN7CCC6)n(-c5ccc(OC)cc5)c5ccccc45)cc3)c(-c3cc4c5c(c3)CCCN5CCC4)c3ccccc32)cc1
InChIInChI=1S/C64H58N4O2/c1-69-53-29-25-51(26-30-53)67-59-18-6-4-16-57(59)61(49-39-45-11-7-35-65-36-8-12-46(40-49)62(45)65)60(67)34-24-44-21-19-43(20-22-44)23-33-56-55-15-3-5-17-58(55)68(52-27-31-54(70-2)32-28-52)64(56)50-41-47-13-9-37-66-38-10-14-48(42-50)63(47)66/h3-6,15-34,39-42H,7-14,35-38H2,1-2H3/b33-23+,34-24+
InChIKeyAPDUUAMOCDEEPZ-IENBMRAWSA-N
XLogP14.66
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.19
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 21301890) is 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is COc1ccc(-n2c(/C=C/c3ccc(/C=C/c4c(-c5cc6c7c(c5)CCCN7CCC6)n(-c5ccc(OC)cc5)c5ccccc45)cc3)c(-c3cc4c5c(c3)CCCN5CCC4)c3ccccc32)cc1.
What is the InChIKey of 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is APDUUAMOCDEEPZ-IENBMRAWSA-N. The full InChI is InChI=1S/C64H58N4O2/c1-69-53-29-25-51(26-30-53)67-59-18-6-4-16-57(59)61(49-39-45-11-7-35-65-36-8-12-46(40-49)62(45)65)60(67)34-24-44-21-19-43(20-22-44)23-33-56-55-15-3-5-17-58(55)68(52-27-31-54(70-2)32-28-52)64(56)50-41-47-13-9-37-66-38-10-14-48(42-50)63(47)66/h3-6,15-34,39-42H,7-14,35-38H2,1-2H3/b33-23+,34-24+.
What are the key properties of 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 915.19 g/mol, XLogP of 14.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-2-[4-[(E)-2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-(4-methoxyphenyl)indol-3-yl]ethenyl]phenyl]ethenyl]-1-(4-methoxyphenyl)indol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 21301890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).