2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole

C57H52N4O2 — CID 139225239

IUPAC2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole
SMILESC=CCOc1ccc(Cc2ccc(OCC=C)c(C(c3[nH]c4ccccc4c3C)c3[nH]c4ccccc4c3C)c2)cc1C(c1[nH]c2ccccc2c1C)c1[nH]c2ccccc2c1C
InChIInChI=1S/C57H52N4O2/c1-7-29-62-50-27-25-38(32-44(50)52(54-34(3)40-17-9-13-21-46(40)58-54)55-35(4)41-18-10-14-22-47(41)59-55)31-39-26-28-51(63-30-8-2)45(33-39)53(56-36(5)42-19-11-15-23-48(42)60-56)57-37(6)43-20-12-16-24-49(43)61-57/h7-28,32-33,52-53,58-61H,1-2,29-31H2,3-6H3
InChIKeyRYCXILQKCBSQQH-UHFFFAOYSA-N
MW825.07 g/mol
LogP13.93
Rot. Bonds14

About 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole

2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole (PubChem CID 139225239) has the molecular formula C57H52N4O2 and a molecular weight of 825.07 g/mol. Its IUPAC name is 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole.

Molecular Properties

Compound Name2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole
PubChem CID139225239
Molecular FormulaC57H52N4O2
Molecular Weight825.07 g/mol
Exact Mass824.41
IUPAC Name2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole
SMILESC=CCOc1ccc(Cc2ccc(OCC=C)c(C(c3[nH]c4ccccc4c3C)c3[nH]c4ccccc4c3C)c2)cc1C(c1[nH]c2ccccc2c1C)c1[nH]c2ccccc2c1C
InChIInChI=1S/C57H52N4O2/c1-7-29-62-50-27-25-38(32-44(50)52(54-34(3)40-17-9-13-21-46(40)58-54)55-35(4)41-18-10-14-22-47(41)59-55)31-39-26-28-51(63-30-8-2)45(33-39)53(56-36(5)42-19-11-15-23-48(42)60-56)57-37(6)43-20-12-16-24-49(43)61-57/h7-28,32-33,52-53,58-61H,1-2,29-31H2,3-6H3
InChIKeyRYCXILQKCBSQQH-UHFFFAOYSA-N
XLogP13.93
TPSA81.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 513.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole with MolForge

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Related Compounds

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CID 3824745
Bismahanine
CID 10327320

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole?
The IUPAC name of 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole (CID 139225239) is 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole.
What is the SMILES notation for 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole?
The canonical SMILES for 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole is C=CCOc1ccc(Cc2ccc(OCC=C)c(C(c3[nH]c4ccccc4c3C)c3[nH]c4ccccc4c3C)c2)cc1C(c1[nH]c2ccccc2c1C)c1[nH]c2ccccc2c1C.
What is the InChIKey of 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole?
The InChIKey is RYCXILQKCBSQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N4O2/c1-7-29-62-50-27-25-38(32-44(50)52(54-34(3)40-17-9-13-21-46(40)58-54)55-35(4)41-18-10-14-22-47(41)59-55)31-39-26-28-51(63-30-8-2)45(33-39)53(56-36(5)42-19-11-15-23-48(42)60-56)57-37(6)43-20-12-16-24-49(43)61-57/h7-28,32-33,52-53,58-61H,1-2,29-31H2,3-6H3.
What are the key properties of 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole?
2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole has a molecular weight of 825.07 g/mol, XLogP of 13.93, 14 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole is sourced from PubChem (CID 139225239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).