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

C33H30N2O — CID 118371354

IUPAC1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole
SMILESCOc1ccc(-n2cc(C(C)(C)c3cn(-c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C33H30N2O/c1-23-13-15-24(16-14-23)34-21-29(27-9-5-7-11-31(27)34)33(2,3)30-22-35(32-12-8-6-10-28(30)32)25-17-19-26(36-4)20-18-25/h5-22H,1-4H3
InChIKeyPIQPTORGAAVWRP-UHFFFAOYSA-N
MW470.62 g/mol
LogP8.22
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole (PubChem CID 118371354) has the molecular formula C33H30N2O and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole
PubChem CID118371354
Molecular FormulaC33H30N2O
Molecular Weight470.62 g/mol
Exact Mass470.24
IUPAC Name1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole
SMILESCOc1ccc(-n2cc(C(C)(C)c3cn(-c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C33H30N2O/c1-23-13-15-24(16-14-23)34-21-29(27-9-5-7-11-31(27)34)33(2,3)30-22-35(32-12-8-6-10-28(30)32)25-17-19-26(36-4)20-18-25/h5-22H,1-4H3
InChIKeyPIQPTORGAAVWRP-UHFFFAOYSA-N
XLogP8.22
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole (CID 118371354) is 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole is COc1ccc(-n2cc(C(C)(C)c3cn(-c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole?
The InChIKey is PIQPTORGAAVWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O/c1-23-13-15-24(16-14-23)34-21-29(27-9-5-7-11-31(27)34)33(2,3)30-22-35(32-12-8-6-10-28(30)32)25-17-19-26(36-4)20-18-25/h5-22H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole?
1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole has a molecular weight of 470.62 g/mol, XLogP of 8.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole is sourced from PubChem (CID 118371354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).