10-bromo-1,12b-dihydrotriphenylene

C18H13Br — CID 145063923

IUPAC10-bromo-1,12b-dihydrotriphenylene
SMILESBrc1ccc2c(c1)-c1ccccc1C1=CC=CCC12
InChIInChI=1S/C18H13Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-6,8-11,15H,7H2
InChIKeyGYBLPKUPXIQMGI-UHFFFAOYSA-N
MW309.21 g/mol
LogP5.56
Rot. Bonds

About 10-bromo-1,12b-dihydrotriphenylene

10-bromo-1,12b-dihydrotriphenylene (PubChem CID 145063923) has the molecular formula C18H13Br and a molecular weight of 309.21 g/mol. Its IUPAC name is 10-bromo-1,12b-dihydrotriphenylene.

Molecular Properties

Compound Name10-bromo-1,12b-dihydrotriphenylene
PubChem CID145063923
Molecular FormulaC18H13Br
Molecular Weight309.21 g/mol
Exact Mass308.02
IUPAC Name10-bromo-1,12b-dihydrotriphenylene
SMILESBrc1ccc2c(c1)-c1ccccc1C1=CC=CCC12
InChIInChI=1S/C18H13Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-6,8-11,15H,7H2
InChIKeyGYBLPKUPXIQMGI-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.21
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10-bromo-1,12b-dihydrotriphenylene 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

10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene
CID 159798458
4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran
CID 170227182
1,9,10,10a-tetrahydrophenanthren-9-amine
CID 70670077
3-bromo-9H-fluorene-9-carbaldehyde
CID 174549083
9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
CID 129260605
9-(4-methylphenyl)-1,10a-dihydrophenanthrene
CID 143963647
3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene
CID 126561097
4,4a-dihydrothioxanthen-9-one
CID 71107851
8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane
CID 90847264
[(6S)-6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl] methanesulfonate
CID 174755048
9-(5-methylcyclohexa-1,5-dien-1-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123504389
2-bromo-9-methylidenefluorene
CID 89181639

Frequently Asked Questions

What is the IUPAC name of 10-bromo-1,12b-dihydrotriphenylene?
The IUPAC name of 10-bromo-1,12b-dihydrotriphenylene (CID 145063923) is 10-bromo-1,12b-dihydrotriphenylene.
What is the SMILES notation for 10-bromo-1,12b-dihydrotriphenylene?
The canonical SMILES for 10-bromo-1,12b-dihydrotriphenylene is Brc1ccc2c(c1)-c1ccccc1C1=CC=CCC12.
What is the InChIKey of 10-bromo-1,12b-dihydrotriphenylene?
The InChIKey is GYBLPKUPXIQMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-6,8-11,15H,7H2.
What are the key properties of 10-bromo-1,12b-dihydrotriphenylene?
10-bromo-1,12b-dihydrotriphenylene has a molecular weight of 309.21 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-1,12b-dihydrotriphenylene is sourced from PubChem (CID 145063923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).