3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol

C36H32Br2N4O — CID 163611253

IUPAC3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol
SMILESCC1(C)c2cc(-c3cc(Br)cc4c(C5Nc6ccc(Br)cc6C5(C)C)c[nH]c34)ccc2NC1c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C36H32Br2N4O/c1-35(2)27-11-18(5-9-29(27)41-33(35)25-16-39-31-15-21(43)7-8-22(25)31)23-12-20(38)13-24-26(17-40-32(23)24)34-36(3,4)28-14-19(37)6-10-30(28)42-34/h5-17,33-34,39-43H,1-4H3
InChIKeyHGCKVCGMQLYLHX-UHFFFAOYSA-N
MW696.49 g/mol
LogP10.44
Rot. Bonds3

About 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol

3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol (PubChem CID 163611253) has the molecular formula C36H32Br2N4O and a molecular weight of 696.49 g/mol. Its IUPAC name is 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol.

Molecular Properties

Compound Name3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol
PubChem CID163611253
Molecular FormulaC36H32Br2N4O
Molecular Weight696.49 g/mol
Exact Mass694.09
IUPAC Name3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol
SMILESCC1(C)c2cc(-c3cc(Br)cc4c(C5Nc6ccc(Br)cc6C5(C)C)c[nH]c34)ccc2NC1c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C36H32Br2N4O/c1-35(2)27-11-18(5-9-29(27)41-33(35)25-16-39-31-15-21(43)7-8-22(25)31)23-12-20(38)13-24-26(17-40-32(23)24)34-36(3,4)28-14-19(37)6-10-30(28)42-34/h5-17,33-34,39-43H,1-4H3
InChIKeyHGCKVCGMQLYLHX-UHFFFAOYSA-N
XLogP10.44
TPSA75.87 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.49
LogP ≤ 510.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol?
The IUPAC name of 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol (CID 163611253) is 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol.
What is the SMILES notation for 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol?
The canonical SMILES for 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol is CC1(C)c2cc(-c3cc(Br)cc4c(C5Nc6ccc(Br)cc6C5(C)C)c[nH]c34)ccc2NC1c1c[nH]c2cc(O)ccc12.
What is the InChIKey of 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol?
The InChIKey is HGCKVCGMQLYLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32Br2N4O/c1-35(2)27-11-18(5-9-29(27)41-33(35)25-16-39-31-15-21(43)7-8-22(25)31)23-12-20(38)13-24-26(17-40-32(23)24)34-36(3,4)28-14-19(37)6-10-30(28)42-34/h5-17,33-34,39-43H,1-4H3.
What are the key properties of 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol?
3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol has a molecular weight of 696.49 g/mol, XLogP of 10.44, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol is sourced from PubChem (CID 163611253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).