4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene

C28H26Br2 — CID 149464837

IUPAC4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene
SMILESBrc1ccc(C(c2ccc(Br)cc2)c2ccc3c(c2)C2CC4CC(CC3C4)C2)cc1
InChIInChI=1S/C28H26Br2/c29-24-6-1-19(2-7-24)28(20-3-8-25(30)9-4-20)21-5-10-26-22-12-17-11-18(13-22)15-23(14-17)27(26)16-21/h1-10,16-18,22-23,28H,11-15H2
InChIKeyZAFIGWPAFPLCJB-UHFFFAOYSA-N
MW522.32 g/mol
LogP8.78
Rot. Bonds3

About 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene

4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene (PubChem CID 149464837) has the molecular formula C28H26Br2 and a molecular weight of 522.32 g/mol. Its IUPAC name is 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene
PubChem CID149464837
Molecular FormulaC28H26Br2
Molecular Weight522.32 g/mol
Exact Mass520.04
IUPAC Name4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene
SMILESBrc1ccc(C(c2ccc(Br)cc2)c2ccc3c(c2)C2CC4CC(CC3C4)C2)cc1
InChIInChI=1S/C28H26Br2/c29-24-6-1-19(2-7-24)28(20-3-8-25(30)9-4-20)21-5-10-26-22-12-17-11-18(13-22)15-23(14-17)27(26)16-21/h1-10,16-18,22-23,28H,11-15H2
InChIKeyZAFIGWPAFPLCJB-UHFFFAOYSA-N
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.32
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene?
The IUPAC name of 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene (CID 149464837) is 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene.
What is the SMILES notation for 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene?
The canonical SMILES for 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene is Brc1ccc(C(c2ccc(Br)cc2)c2ccc3c(c2)C2CC4CC(CC3C4)C2)cc1.
What is the InChIKey of 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene?
The InChIKey is ZAFIGWPAFPLCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Br2/c29-24-6-1-19(2-7-24)28(20-3-8-25(30)9-4-20)21-5-10-26-22-12-17-11-18(13-22)15-23(14-17)27(26)16-21/h1-10,16-18,22-23,28H,11-15H2.
What are the key properties of 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene?
4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene has a molecular weight of 522.32 g/mol, XLogP of 8.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene is sourced from PubChem (CID 149464837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).