8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

C23H20BrNO — CID 19084451

IUPAC8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3cc(Br)ccc13)O2
InChIInChI=1S/C23H20BrNO/c1-22(2)19-6-4-5-7-20(19)25(3)23(22)13-12-18-17-10-9-16(24)14-15(17)8-11-21(18)26-23/h4-14H,1-3H3
InChIKeyJRHZVLHNASNYOR-UHFFFAOYSA-N
MW406.32 g/mol
LogP6.13
Rot. Bonds

About 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (PubChem CID 19084451) has the molecular formula C23H20BrNO and a molecular weight of 406.32 g/mol. Its IUPAC name is 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].

Molecular Properties

Compound Name8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
PubChem CID19084451
Molecular FormulaC23H20BrNO
Molecular Weight406.32 g/mol
Exact Mass405.07
IUPAC Name8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3cc(Br)ccc13)O2
InChIInChI=1S/C23H20BrNO/c1-22(2)19-6-4-5-7-20(19)25(3)23(22)13-12-18-17-10-9-16(24)14-15(17)8-11-21(18)26-23/h4-14H,1-3H3
InChIKeyJRHZVLHNASNYOR-UHFFFAOYSA-N
XLogP6.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The IUPAC name of 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (CID 19084451) is 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].
What is the SMILES notation for 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The canonical SMILES for 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3cc(Br)ccc13)O2.
What is the InChIKey of 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The InChIKey is JRHZVLHNASNYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO/c1-22(2)19-6-4-5-7-20(19)25(3)23(22)13-12-18-17-10-9-16(24)14-15(17)8-11-21(18)26-23/h4-14H,1-3H3.
What are the key properties of 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] has a molecular weight of 406.32 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is sourced from PubChem (CID 19084451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).