5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole

C19H16BrN — CID 144919540

IUPAC5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)n(-c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C19H16BrN/c1-3-8-18-16(4-2)17-13-14(20)11-12-19(17)21(18)15-9-6-5-7-10-15/h3-13H,2H2,1H3/b8-3-
InChIKeyZXWPZNWSMQMTTM-BAQGIRSFSA-N
MW338.25 g/mol
LogP6.07
Rot. Bonds3

About 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole

5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole (PubChem CID 144919540) has the molecular formula C19H16BrN and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Name5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
PubChem CID144919540
Molecular FormulaC19H16BrN
Molecular Weight338.25 g/mol
Exact Mass337.05
IUPAC Name5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)n(-c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C19H16BrN/c1-3-8-18-16(4-2)17-13-14(20)11-12-19(17)21(18)15-9-6-5-7-10-15/h3-13H,2H2,1H3/b8-3-
InChIKeyZXWPZNWSMQMTTM-BAQGIRSFSA-N
XLogP6.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-ethenyl-2-methyl-1-phenylindole
CID 123907696
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
9-(3,5-dibromophenyl)-3-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]carbazole
CID 145163222
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
CID 143438004
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344
(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane
CID 144543391
CID 89213448
CID 89213448
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene
CID 143516126
1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
CID 123383363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole?
The IUPAC name of 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole (CID 144919540) is 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole?
The canonical SMILES for 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole is C=Cc1c(/C=C\C)n(-c2ccccc2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole?
The InChIKey is ZXWPZNWSMQMTTM-BAQGIRSFSA-N. The full InChI is InChI=1S/C19H16BrN/c1-3-8-18-16(4-2)17-13-14(20)11-12-19(17)21(18)15-9-6-5-7-10-15/h3-13H,2H2,1H3/b8-3-.
What are the key properties of 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole?
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole has a molecular weight of 338.25 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 144919540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).