5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene

C28H25Br — CID 132543434

IUPAC5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
SMILESCc1ccc(C2=C3CCCCC(c4ccc(Br)cc4)=C3c3ccc(C)cc32)cc1
InChIInChI=1S/C28H25Br/c1-18-7-10-21(11-8-18)27-25-6-4-3-5-23(20-12-14-22(29)15-13-20)28(25)24-16-9-19(2)17-26(24)27/h7-17H,3-6H2,1-2H3
InChIKeyVJNARBAXRZTBAC-UHFFFAOYSA-N
MW441.41 g/mol
LogP8.37
Rot. Bonds2

About 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene

5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene (PubChem CID 132543434) has the molecular formula C28H25Br and a molecular weight of 441.41 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
PubChem CID132543434
Molecular FormulaC28H25Br
Molecular Weight441.41 g/mol
Exact Mass440.11
IUPAC Name5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
SMILESCc1ccc(C2=C3CCCCC(c4ccc(Br)cc4)=C3c3ccc(C)cc32)cc1
InChIInChI=1S/C28H25Br/c1-18-7-10-21(11-8-18)27-25-6-4-3-5-23(20-12-14-22(29)15-13-20)28(25)24-16-9-19(2)17-26(24)27/h7-17H,3-6H2,1-2H3
InChIKeyVJNARBAXRZTBAC-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-9-(4-bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1H-fluorene
CID 132543443
5-(4-chlorophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
CID 132543433
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
2-(4-bromophenyl)-1-methoxy-4-methylbenzene
CID 83665556
2-(4-bromophenyl)-4-methylphenol
CID 15169349
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
2,3-bis(4-methylphenyl)cyclopent-2-en-1-one
CID 10084074
1-(2-chlorocyclohexen-1-yl)-4-methylbenzene
CID 162400870
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
CID 132604288
magnesium;1-bromo-4-methylbenzene;hydride
CID 173035021
6-methyl-2,3-diphenyl-1H-indene
CID 102161513

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene?
The IUPAC name of 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene (CID 132543434) is 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene.
What is the SMILES notation for 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene?
The canonical SMILES for 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene is Cc1ccc(C2=C3CCCCC(c4ccc(Br)cc4)=C3c3ccc(C)cc32)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene?
The InChIKey is VJNARBAXRZTBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Br/c1-18-7-10-21(11-8-18)27-25-6-4-3-5-23(20-12-14-22(29)15-13-20)28(25)24-16-9-19(2)17-26(24)27/h7-17H,3-6H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene?
5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene has a molecular weight of 441.41 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene is sourced from PubChem (CID 132543434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).