1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole

C36H28N2O — CID 56851728

IUPAC1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole
SMILESc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(Oc7ccccc7)c6)c5c4)cc32)cc1
InChIInChI=1S/C36H28N2O/c1-3-8-27(9-4-1)25-37-20-18-29-14-16-31(23-35(29)37)32-17-15-30-19-21-38(36(30)24-32)26-28-10-7-13-34(22-28)39-33-11-5-2-6-12-33/h1-24H,25-26H2
InChIKeyDJSNBNSFDZGTII-UHFFFAOYSA-N
MW504.63 g/mol
LogP9.15
Rot. Bonds7

About 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole

1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole (PubChem CID 56851728) has the molecular formula C36H28N2O and a molecular weight of 504.63 g/mol. Its IUPAC name is 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole
PubChem CID56851728
Molecular FormulaC36H28N2O
Molecular Weight504.63 g/mol
Exact Mass504.22
IUPAC Name1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole
SMILESc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(Oc7ccccc7)c6)c5c4)cc32)cc1
InChIInChI=1S/C36H28N2O/c1-3-8-27(9-4-1)25-37-20-18-29-14-16-31(23-35(29)37)32-17-15-30-19-21-38(36(30)24-32)26-28-10-7-13-34(22-28)39-33-11-5-2-6-12-33/h1-24H,25-26H2
InChIKeyDJSNBNSFDZGTII-UHFFFAOYSA-N
XLogP9.15
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole?
The IUPAC name of 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole (CID 56851728) is 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole.
What is the SMILES notation for 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole?
The canonical SMILES for 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole is c1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(Oc7ccccc7)c6)c5c4)cc32)cc1.
What is the InChIKey of 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole?
The InChIKey is DJSNBNSFDZGTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O/c1-3-8-27(9-4-1)25-37-20-18-29-14-16-31(23-35(29)37)32-17-15-30-19-21-38(36(30)24-32)26-28-10-7-13-34(22-28)39-33-11-5-2-6-12-33/h1-24H,25-26H2.
What are the key properties of 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole?
1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole has a molecular weight of 504.63 g/mol, XLogP of 9.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[1-[(3-phenoxyphenyl)methyl]indol-6-yl]indole is sourced from PubChem (CID 56851728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).