2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole

C41H38N2O — CID 19888287

IUPAC2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole
SMILESCCOc1ccc(-c2c(C(c3ccccc3)c3c(-c4ccccc4)n(CC)c4ccccc34)c3ccccc3n2CC)cc1
InChIInChI=1S/C41H38N2O/c1-4-42-35-23-15-13-21-33(35)38(40(42)30-19-11-8-12-20-30)37(29-17-9-7-10-18-29)39-34-22-14-16-24-36(34)43(5-2)41(39)31-25-27-32(28-26-31)44-6-3/h7-28,37H,4-6H2,1-3H3
InChIKeyCCHYBFRNQSVAPJ-UHFFFAOYSA-N
MW574.77 g/mol
LogP10.55
Rot. Bonds9

About 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole

2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole (PubChem CID 19888287) has the molecular formula C41H38N2O and a molecular weight of 574.77 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole
PubChem CID19888287
Molecular FormulaC41H38N2O
Molecular Weight574.77 g/mol
Exact Mass574.30
IUPAC Name2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole
SMILESCCOc1ccc(-c2c(C(c3ccccc3)c3c(-c4ccccc4)n(CC)c4ccccc34)c3ccccc3n2CC)cc1
InChIInChI=1S/C41H38N2O/c1-4-42-35-23-15-13-21-33(35)38(40(42)30-19-11-8-12-20-30)37(29-17-9-7-10-18-29)39-34-22-14-16-24-36(34)43(5-2)41(39)31-25-27-32(28-26-31)44-6-3/h7-28,37H,4-6H2,1-3H3
InChIKeyCCHYBFRNQSVAPJ-UHFFFAOYSA-N
XLogP10.55
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole?
The IUPAC name of 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole (CID 19888287) is 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole is CCOc1ccc(-c2c(C(c3ccccc3)c3c(-c4ccccc4)n(CC)c4ccccc34)c3ccccc3n2CC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole?
The InChIKey is CCHYBFRNQSVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N2O/c1-4-42-35-23-15-13-21-33(35)38(40(42)30-19-11-8-12-20-30)37(29-17-9-7-10-18-29)39-34-22-14-16-24-36(34)43(5-2)41(39)31-25-27-32(28-26-31)44-6-3/h7-28,37H,4-6H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole?
2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole has a molecular weight of 574.77 g/mol, XLogP of 10.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-ethyl-3-[(1-ethyl-2-phenylindol-3-yl)-phenylmethyl]indole is sourced from PubChem (CID 19888287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).