1-(2-bromophenyl)triphenylene

C24H15Br — CID 134258474

IUPAC1-(2-bromophenyl)triphenylene
SMILESBrc1ccccc1-c1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C24H15Br/c25-23-15-6-5-11-19(23)22-14-7-13-21-18-9-2-1-8-16(18)17-10-3-4-12-20(17)24(21)22/h1-15H
InChIKeyZMHOPRSJESNTQD-UHFFFAOYSA-N
MW383.29 g/mol
LogP7.58
Rot. Bonds1

About 1-(2-bromophenyl)triphenylene

1-(2-bromophenyl)triphenylene (PubChem CID 134258474) has the molecular formula C24H15Br and a molecular weight of 383.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)triphenylene.

Molecular Properties

Compound Name1-(2-bromophenyl)triphenylene
PubChem CID134258474
Molecular FormulaC24H15Br
Molecular Weight383.29 g/mol
Exact Mass382.04
IUPAC Name1-(2-bromophenyl)triphenylene
SMILESBrc1ccccc1-c1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C24H15Br/c25-23-15-6-5-11-19(23)22-14-7-13-21-18-9-2-1-8-16(18)17-10-3-4-12-20(17)24(21)22/h1-15H
InChIKeyZMHOPRSJESNTQD-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)fluoranthene
CID 58390376
4,6-di(triphenylen-1-yl)dibenzothiophene
CID 88552368
15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
CID 87763316
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
9-(5-bromonaphthalen-1-yl)phenanthrene
CID 166985687
21-bromohexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(25),2,4,6,8,10,12,14(26),15,17,19,21,23-tridecaene
CID 170265949
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
2-bromo-1-(2-bromophenyl)-3-chlorobenzene
CID 175669907
1-bromo-6-methyltriphenylene
CID 151908557
5-(2-bromophenyl)-1H-quinolin-4-one
CID 155929504
4-bromo-6-fluoranthen-3-yldibenzofuran
CID 129100187
4-[12-(6-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)chrysen-6-yl]hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
CID 59330314

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)triphenylene?
The IUPAC name of 1-(2-bromophenyl)triphenylene (CID 134258474) is 1-(2-bromophenyl)triphenylene.
What is the SMILES notation for 1-(2-bromophenyl)triphenylene?
The canonical SMILES for 1-(2-bromophenyl)triphenylene is Brc1ccccc1-c1cccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 1-(2-bromophenyl)triphenylene?
The InChIKey is ZMHOPRSJESNTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Br/c25-23-15-6-5-11-19(23)22-14-7-13-21-18-9-2-1-8-16(18)17-10-3-4-12-20(17)24(21)22/h1-15H.
What are the key properties of 1-(2-bromophenyl)triphenylene?
1-(2-bromophenyl)triphenylene has a molecular weight of 383.29 g/mol, XLogP of 7.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)triphenylene is sourced from PubChem (CID 134258474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).