1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene

C30H37Br — CID 154824840

IUPAC1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
SMILESCCC(C)c1ccc(C(C)CC(CC(CC)c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C30H37Br/c1-5-22(3)25-12-14-26(15-13-25)23(4)20-29(28-16-18-30(31)19-17-28)21-24(6-2)27-10-8-7-9-11-27/h7-19,22-24,29H,5-6,20-21H2,1-4H3
InChIKeyMFRJAVZKQVYXGM-UHFFFAOYSA-N
MW477.53 g/mol
LogP9.82
Rot. Bonds10

About 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene

1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene (PubChem CID 154824840) has the molecular formula C30H37Br and a molecular weight of 477.53 g/mol. Its IUPAC name is 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
PubChem CID154824840
Molecular FormulaC30H37Br
Molecular Weight477.53 g/mol
Exact Mass476.21
IUPAC Name1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
SMILESCCC(C)c1ccc(C(C)CC(CC(CC)c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C30H37Br/c1-5-22(3)25-12-14-26(15-13-25)23(4)20-29(28-16-18-30(31)19-17-28)21-24(6-2)27-10-8-7-9-11-27/h7-19,22-24,29H,5-6,20-21H2,1-4H3
InChIKeyMFRJAVZKQVYXGM-UHFFFAOYSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
CID 59289101
4-(2,6-diphenyloctan-4-yl)pyridine;methane
CID 157478380
magnesium 4-[6-phenyl-4-(4-sulfonatophenyl)octan-2-yl]benzenesulfonate
CID 172972808
bis(butan-2-ylbenzene);[(2S)-4,6-diphenyloctan-2-yl]benzene;ethane;[(5R)-1-ethyl-3-methyl-5-phenylhexyl]benzene;methanesulfonate;2-methylbutane
CID 158207148
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene?
The IUPAC name of 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene (CID 154824840) is 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene?
The canonical SMILES for 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene is CCC(C)c1ccc(C(C)CC(CC(CC)c2ccccc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene?
The InChIKey is MFRJAVZKQVYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37Br/c1-5-22(3)25-12-14-26(15-13-25)23(4)20-29(28-16-18-30(31)19-17-28)21-24(6-2)27-10-8-7-9-11-27/h7-19,22-24,29H,5-6,20-21H2,1-4H3.
What are the key properties of 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene?
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene has a molecular weight of 477.53 g/mol, XLogP of 9.82, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene is sourced from PubChem (CID 154824840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).