1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole

C33H30N2O2 — CID 59307597

IUPAC1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
SMILESCOc1ccc(-n2cc(C(C)(C)c3cn(-c4ccc(OC)cc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C33H30N2O2/c1-33(2,29-21-34(31-11-7-5-9-27(29)31)23-13-17-25(36-3)18-14-23)30-22-35(32-12-8-6-10-28(30)32)24-15-19-26(37-4)20-16-24/h5-22H,1-4H3
InChIKeyQVSXXFIVMFWUII-UHFFFAOYSA-N
MW486.62 g/mol
LogP7.92
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole

1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole (PubChem CID 59307597) has the molecular formula C33H30N2O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
PubChem CID59307597
Molecular FormulaC33H30N2O2
Molecular Weight486.62 g/mol
Exact Mass486.23
IUPAC Name1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
SMILESCOc1ccc(-n2cc(C(C)(C)c3cn(-c4ccc(OC)cc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C33H30N2O2/c1-33(2,29-21-34(31-11-7-5-9-27(29)31)23-13-17-25(36-3)18-14-23)30-22-35(32-12-8-6-10-28(30)32)24-15-19-26(37-4)20-16-24/h5-22H,1-4H3
InChIKeyQVSXXFIVMFWUII-UHFFFAOYSA-N
XLogP7.92
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole (CID 59307597) is 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole is COc1ccc(-n2cc(C(C)(C)c3cn(-c4ccc(OC)cc4)c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole?
The InChIKey is QVSXXFIVMFWUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O2/c1-33(2,29-21-34(31-11-7-5-9-27(29)31)23-13-17-25(36-3)18-14-23)30-22-35(32-12-8-6-10-28(30)32)24-15-19-26(37-4)20-16-24/h5-22H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole?
1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole has a molecular weight of 486.62 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole is sourced from PubChem (CID 59307597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).