5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole

C24H15Br2F3N2O — CID 102253788

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
SMILESFC(F)(F)Oc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C24H15Br2F3N2O/c25-14-3-7-21-17(9-14)19(11-30-21)23(13-1-5-16(6-2-13)32-24(27,28)29)20-12-31-22-8-4-15(26)10-18(20)22/h1-12,23,30-31H
InChIKeyKPRGMQUENSHKGB-UHFFFAOYSA-N
MW564.20 g/mol
LogP8.25
Rot. Bonds4

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole (PubChem CID 102253788) has the molecular formula C24H15Br2F3N2O and a molecular weight of 564.20 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
PubChem CID102253788
Molecular FormulaC24H15Br2F3N2O
Molecular Weight564.20 g/mol
Exact Mass561.95
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
SMILESFC(F)(F)Oc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C24H15Br2F3N2O/c25-14-3-7-21-17(9-14)19(11-30-21)23(13-1-5-16(6-2-13)32-24(27,28)29)20-12-31-22-8-4-15(26)10-18(20)22/h1-12,23,30-31H
InChIKeyKPRGMQUENSHKGB-UHFFFAOYSA-N
XLogP8.25
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.20
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-MeO-NBpBrT
CID 5124753
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
2-[3-(5-bromo-1H-indol-3-yl)propyl]-6-(111C)methoxy-3,4-dihydro-1H-isoquinoline
CID 44586281
3-[(4-Methoxyphenyl)Phenylmethyl]Indole
CID 53325642
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
3-[[4,4-difluoro-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-6-fluoro-1H-indole
CID 134155784
3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 7118195
DIM-C-pPhOCH3
CID 11371604
4-[bis(5-bromo-1H-indol-3-yl)methyl]phenol
CID 73346255
5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 78320889
4-[bis(5-bromo-1H-indol-3-yl)methyl]benzene-1,3-diol
CID 86276283
2-Bromo-6-(di(1H-indol-3-yl)methyl)phenol
CID 163196463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole (CID 102253788) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole is FC(F)(F)Oc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The InChIKey is KPRGMQUENSHKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Br2F3N2O/c25-14-3-7-21-17(9-14)19(11-30-21)23(13-1-5-16(6-2-13)32-24(27,28)29)20-12-31-22-8-4-15(26)10-18(20)22/h1-12,23,30-31H.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole has a molecular weight of 564.20 g/mol, XLogP of 8.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole is sourced from PubChem (CID 102253788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).