5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene

C25H24BrN — CID 143516126

IUPAC5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene
SMILESC=CC.Cc1c(C)n(-c2ccc(-c3ccccc3)cc2)c2ccc(Br)cc12
InChIInChI=1S/C22H18BrN.C3H6/c1-15-16(2)24(22-13-10-19(23)14-21(15)22)20-11-8-18(9-12-20)17-6-4-3-5-7-17;1-3-2/h3-14H,1-2H3;3H,1H2,2H3
InChIKeyVRBGKQBIZUEIFF-UHFFFAOYSA-N
MW418.38 g/mol
LogP7.87
Rot. Bonds2

About 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene

5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene (PubChem CID 143516126) has the molecular formula C25H24BrN and a molecular weight of 418.38 g/mol. Its IUPAC name is 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene.

Molecular Properties

Compound Name5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene
PubChem CID143516126
Molecular FormulaC25H24BrN
Molecular Weight418.38 g/mol
Exact Mass417.11
IUPAC Name5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene
SMILESC=CC.Cc1c(C)n(-c2ccc(-c3ccccc3)cc2)c2ccc(Br)cc12
InChIInChI=1S/C22H18BrN.C3H6/c1-15-16(2)24(22-13-10-19(23)14-21(15)22)20-11-8-18(9-12-20)17-6-4-3-5-7-17;1-3-2/h3-14H,1-2H3;3H,1H2,2H3
InChIKeyVRBGKQBIZUEIFF-UHFFFAOYSA-N
XLogP7.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.38
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-ethenyl-2-methyl-1-phenylindole
CID 123907696
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706
3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole
CID 90370176
2,3-dimethyl-1-phenylindole-5-thiol
CID 143543300
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
6-bromo-1,2,9-triphenylcarbazole
CID 142745273
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534
1-(3-bromophenyl)-2,3-dimethylindole
CID 146003926
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59184226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene?
The IUPAC name of 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene (CID 143516126) is 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene.
What is the SMILES notation for 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene?
The canonical SMILES for 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene is C=CC.Cc1c(C)n(-c2ccc(-c3ccccc3)cc2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene?
The InChIKey is VRBGKQBIZUEIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN.C3H6/c1-15-16(2)24(22-13-10-19(23)14-21(15)22)20-11-8-18(9-12-20)17-6-4-3-5-7-17;1-3-2/h3-14H,1-2H3;3H,1H2,2H3.
What are the key properties of 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene?
5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene has a molecular weight of 418.38 g/mol, XLogP of 7.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene is sourced from PubChem (CID 143516126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).