4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole

C18H16Br2N2 — CID 146560648

IUPAC4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)c2c(Br)cccc2NC1c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C18H16Br2N2/c1-18(2)16-12(20)6-4-8-14(16)22-17(18)10-9-21-13-7-3-5-11(19)15(10)13/h3-9,17,21-22H,1-2H3
InChIKeyNUJZBBHIXISPKN-UHFFFAOYSA-N
MW420.15 g/mol
LogP6.14
Rot. Bonds1

About 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole

4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole (PubChem CID 146560648) has the molecular formula C18H16Br2N2 and a molecular weight of 420.15 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole
PubChem CID146560648
Molecular FormulaC18H16Br2N2
Molecular Weight420.15 g/mol
Exact Mass417.97
IUPAC Name4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)c2c(Br)cccc2NC1c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C18H16Br2N2/c1-18(2)16-12(20)6-4-8-14(16)22-17(18)10-9-21-13-7-3-5-11(19)15(10)13/h3-9,17,21-22H,1-2H3
InChIKeyNUJZBBHIXISPKN-UHFFFAOYSA-N
XLogP6.14
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.15
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole (CID 146560648) is 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole is CC1(C)c2c(Br)cccc2NC1c1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is NUJZBBHIXISPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2/c1-18(2)16-12(20)6-4-8-14(16)22-17(18)10-9-21-13-7-3-5-11(19)15(10)13/h3-9,17,21-22H,1-2H3.
What are the key properties of 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole?
4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 420.15 g/mol, XLogP of 6.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 146560648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).