5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone

C65H82Br4N4OSi — CID 162012138

IUPAC5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone
SMILESBrc1ccc2[nH]cc(C3=CCCCC3)c2c1.Brc1ccc2[nH]cc(C3CCCCC3)c2c1.Brc1ccc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)ccc21.O=C1CCCCC1
InChIInChI=1S/C23H36BrNSi.C14H16BrN.C14H14BrN.C8H6BrN.C6H10O/c1-16(2)26(17(3)4,18(5)6)25-15-22(19-10-8-7-9-11-19)21-14-20(24)12-13-23(21)25;2*15-11-6-7-14-12(8-11)13(9-16-14)10-4-2-1-3-5-10;9-7-1-2-8-6(5-7)3-4-10-8;7-6-4-2-1-3-5-6/h12-19H,7-11H2,1-6H3;6-10,16H,1-5H2;4,6-9,16H,1-3,5H2;1-5,10H;1-5H2
InChIKeyYTPQJWYFQFOHRL-UHFFFAOYSA-N
MW1283.10 g/mol
LogP22.79
Rot. Bonds7

About 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone

5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone (PubChem CID 162012138) has the molecular formula C65H82Br4N4OSi and a molecular weight of 1283.10 g/mol. Its IUPAC name is 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone.

Molecular Properties

Compound Name5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone
PubChem CID162012138
Molecular FormulaC65H82Br4N4OSi
Molecular Weight1283.10 g/mol
Exact Mass1278.30
IUPAC Name5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone
SMILESBrc1ccc2[nH]cc(C3=CCCCC3)c2c1.Brc1ccc2[nH]cc(C3CCCCC3)c2c1.Brc1ccc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)ccc21.O=C1CCCCC1
InChIInChI=1S/C23H36BrNSi.C14H16BrN.C14H14BrN.C8H6BrN.C6H10O/c1-16(2)26(17(3)4,18(5)6)25-15-22(19-10-8-7-9-11-19)21-14-20(24)12-13-23(21)25;2*15-11-6-7-14-12(8-11)13(9-16-14)10-4-2-1-3-5-10;9-7-1-2-8-6(5-7)3-4-10-8;7-6-4-2-1-3-5-6/h12-19H,7-11H2,1-6H3;6-10,16H,1-5H2;4,6-9,16H,1-3,5H2;1-5,10H;1-5H2
InChIKeyYTPQJWYFQFOHRL-UHFFFAOYSA-N
XLogP22.79
TPSA69.37 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.10
LogP ≤ 522.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone with MolForge

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Related Compounds

3-[[5-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127036138
3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326785
3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326786
3-[[6-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127035943
4-(5-bromo-1H-indol-3-yl)-1-(4-bromophenyl)hexan-2-one;3-(5-bromo-1H-indol-3-yl)-1-phenylpentan-1-one;3-(5-bromo-1H-indol-3-yl)-1-pyridin-3-ylpentan-1-one;4-(5-bromo-1H-indol-3-yl)-1,1,1-trifluorohexan-2-one
CID 160264377
3-[bis(5-bromo-1H-indol-3-yl)methyl]-4-methyl-1H-quinolin-2-one
CID 154709541
1-benzyl-3-[bis(1H-indol-3-yl)methyl]-6-bromo-4-methylquinolin-2-one
CID 154709542
1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one
CID 24798925
3,3-bis(5-bromo-1H-indol-3-yl)-5,5-dimethylcyclohexan-1-one
CID 102420885
4,4-bis(5-bromo-1H-indol-3-yl)pentan-2-one
CID 102420886
(2R)-2,6-diamino-N-[4-[bis[4-[[(2R)-2,6-diamino-2-[2-(5-bromo-1H-indol-3-yl)acetyl]hexanoyl]amino]phenyl]methyl]phenyl]-2-[2-(5-bromo-1H-indol-3-yl)acetyl]hexanamide;hydrochloride
CID 87971727
5-bromo-1H-indole;5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;[5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-tri(propan-2-yl)silane;[5-bromo-3-(1-methylpiperidin-4-yl)indol-1-yl]-tri(propan-2-yl)silane;chloromethane;1-methylpiperidin-4-one
CID 157488210

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone?
The IUPAC name of 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone (CID 162012138) is 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone.
What is the SMILES notation for 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone?
The canonical SMILES for 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone is Brc1ccc2[nH]cc(C3=CCCCC3)c2c1.Brc1ccc2[nH]cc(C3CCCCC3)c2c1.Brc1ccc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)ccc21.O=C1CCCCC1.
What is the InChIKey of 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone?
The InChIKey is YTPQJWYFQFOHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36BrNSi.C14H16BrN.C14H14BrN.C8H6BrN.C6H10O/c1-16(2)26(17(3)4,18(5)6)25-15-22(19-10-8-7-9-11-19)21-14-20(24)12-13-23(21)25;2*15-11-6-7-14-12(8-11)13(9-16-14)10-4-2-1-3-5-10;9-7-1-2-8-6(5-7)3-4-10-8;7-6-4-2-1-3-5-6/h12-19H,7-11H2,1-6H3;6-10,16H,1-5H2;4,6-9,16H,1-3,5H2;1-5,10H;1-5H2.
What are the key properties of 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone?
5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone has a molecular weight of 1283.10 g/mol, XLogP of 22.79, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclohexen-1-yl)-1H-indole;5-bromo-3-cyclohexyl-1H-indole;(5-bromo-3-cyclohexylindol-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-indole;cyclohexanone is sourced from PubChem (CID 162012138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).