5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole

C23H22Br2N2 — CID 73347744

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole
SMILESBrc1ccc2[nH]cc(C(c3c[nH]c4ccc(Br)cc34)C3CCCCC3)c2c1
InChIInChI=1S/C23H22Br2N2/c24-15-6-8-21-17(10-15)19(12-26-21)23(14-4-2-1-3-5-14)20-13-27-22-9-7-16(25)11-18(20)22/h6-14,23,26-27H,1-5H2
InChIKeyGRKPFLWWDIENIZ-UHFFFAOYSA-N
MW486.25 g/mol
LogP7.89
Rot. Bonds3

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole (PubChem CID 73347744) has the molecular formula C23H22Br2N2 and a molecular weight of 486.25 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole
PubChem CID73347744
Molecular FormulaC23H22Br2N2
Molecular Weight486.25 g/mol
Exact Mass484.01
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole
SMILESBrc1ccc2[nH]cc(C(c3c[nH]c4ccc(Br)cc34)C3CCCCC3)c2c1
InChIInChI=1S/C23H22Br2N2/c24-15-6-8-21-17(10-15)19(12-26-21)23(14-4-2-1-3-5-14)20-13-27-22-9-7-16(25)11-18(20)22/h6-14,23,26-27H,1-5H2
InChIKeyGRKPFLWWDIENIZ-UHFFFAOYSA-N
XLogP7.89
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.25
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole (CID 73347744) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole is Brc1ccc2[nH]cc(C(c3c[nH]c4ccc(Br)cc34)C3CCCCC3)c2c1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole?
The InChIKey is GRKPFLWWDIENIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N2/c24-15-6-8-21-17(10-15)19(12-26-21)23(14-4-2-1-3-5-14)20-13-27-22-9-7-16(25)11-18(20)22/h6-14,23,26-27H,1-5H2.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole has a molecular weight of 486.25 g/mol, XLogP of 7.89, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-cyclohexylmethyl]-1H-indole is sourced from PubChem (CID 73347744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).