1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole

C30H32N2O3 — CID 135028996

IUPAC1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole
SMILESCCn1cc(C(c2ccc(OC)cc2)c2cn(CC)c3ccc(OC)cc23)c2cc(OC)ccc21
InChIInChI=1S/C30H32N2O3/c1-6-31-18-26(24-16-22(34-4)12-14-28(24)31)30(20-8-10-21(33-3)11-9-20)27-19-32(7-2)29-15-13-23(35-5)17-25(27)29/h8-19,30H,6-7H2,1-5H3
InChIKeyUNWJDKAAWCORBU-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.84
Rot. Bonds8

About 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole

1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole (PubChem CID 135028996) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole
PubChem CID135028996
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole
SMILESCCn1cc(C(c2ccc(OC)cc2)c2cn(CC)c3ccc(OC)cc23)c2cc(OC)ccc21
InChIInChI=1S/C30H32N2O3/c1-6-31-18-26(24-16-22(34-4)12-14-28(24)31)30(20-8-10-21(33-3)11-9-20)27-19-32(7-2)29-15-13-23(35-5)17-25(27)29/h8-19,30H,6-7H2,1-5H3
InChIKeyUNWJDKAAWCORBU-UHFFFAOYSA-N
XLogP6.84
TPSA37.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

O-Methylbufotenine
CID 1832
5-Methoxytryptamine
CID 1833
Bazedoxifene
CID 154257
Pipendoxifene
CID 6433099
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047
Ass234
CID 53378764

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole?
The IUPAC name of 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole (CID 135028996) is 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole.
What is the SMILES notation for 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole?
The canonical SMILES for 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole is CCn1cc(C(c2ccc(OC)cc2)c2cn(CC)c3ccc(OC)cc23)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole?
The InChIKey is UNWJDKAAWCORBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-6-31-18-26(24-16-22(34-4)12-14-28(24)31)30(20-8-10-21(33-3)11-9-20)27-19-32(7-2)29-15-13-23(35-5)17-25(27)29/h8-19,30H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole?
1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole has a molecular weight of 468.60 g/mol, XLogP of 6.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethyl-5-methoxyindol-3-yl)-(4-methoxyphenyl)methyl]-5-methoxyindole is sourced from PubChem (CID 135028996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).