5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole

C34H23BrN2 — CID 118448607

IUPAC5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole
SMILESBrc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)cc(-c2ccc3c(ccn3-c3ccccc3)c2)c1
InChIInChI=1S/C34H23BrN2/c35-30-22-28(24-11-13-33-26(19-24)15-17-36(33)31-7-3-1-4-8-31)21-29(23-30)25-12-14-34-27(20-25)16-18-37(34)32-9-5-2-6-10-32/h1-23H
InChIKeyUMHCCKRRTDDZFI-UHFFFAOYSA-N
MW539.48 g/mol
LogP9.67
Rot. Bonds4

About 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole

5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole (PubChem CID 118448607) has the molecular formula C34H23BrN2 and a molecular weight of 539.48 g/mol. Its IUPAC name is 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole.

Molecular Properties

Compound Name5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole
PubChem CID118448607
Molecular FormulaC34H23BrN2
Molecular Weight539.48 g/mol
Exact Mass538.10
IUPAC Name5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole
SMILESBrc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)cc(-c2ccc3c(ccn3-c3ccccc3)c2)c1
InChIInChI=1S/C34H23BrN2/c35-30-22-28(24-11-13-33-26(19-24)15-17-36(33)31-7-3-1-4-8-31)21-29(23-30)25-12-14-34-27(20-25)16-18-37(34)32-9-5-2-6-10-32/h1-23H
InChIKeyUMHCCKRRTDDZFI-UHFFFAOYSA-N
XLogP9.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.48
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole?
The IUPAC name of 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole (CID 118448607) is 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole.
What is the SMILES notation for 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole?
The canonical SMILES for 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole is Brc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)cc(-c2ccc3c(ccn3-c3ccccc3)c2)c1.
What is the InChIKey of 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole?
The InChIKey is UMHCCKRRTDDZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BrN2/c35-30-22-28(24-11-13-33-26(19-24)15-17-36(33)31-7-3-1-4-8-31)21-29(23-30)25-12-14-34-27(20-25)16-18-37(34)32-9-5-2-6-10-32/h1-23H.
What are the key properties of 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole?
5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole has a molecular weight of 539.48 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-(1-phenylindol-5-yl)phenyl]-1-phenylindole is sourced from PubChem (CID 118448607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).