3-bromo-1,10c-dihydropyrene

C16H11Br — CID 73357563

IUPAC3-bromo-1,10c-dihydropyrene
SMILESBrC1=CCC2=CC=C3C=CC=C4C=CC1=C2C43
InChIInChI=1S/C16H11Br/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-6,8-9,15H,7H2
InChIKeyCAVJUECLZDIOKS-UHFFFAOYSA-N
MW283.17 g/mol
LogP4.51
Rot. Bonds

About 3-bromo-1,10c-dihydropyrene

3-bromo-1,10c-dihydropyrene (PubChem CID 73357563) has the molecular formula C16H11Br and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-1,10c-dihydropyrene.

Molecular Properties

Compound Name3-bromo-1,10c-dihydropyrene
PubChem CID73357563
Molecular FormulaC16H11Br
Molecular Weight283.17 g/mol
Exact Mass282.00
IUPAC Name3-bromo-1,10c-dihydropyrene
SMILESBrC1=CCC2=CC=C3C=CC=C4C=CC1=C2C43
InChIInChI=1S/C16H11Br/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-6,8-9,15H,7H2
InChIKeyCAVJUECLZDIOKS-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-bromo-1,10c-dihydropyrene 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

ethyl N-[3-[(10cS)-1,10c-dihydropyren-4-yl]propylcarbamoylamino]carbamate
CID 89357084
3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene
CID 122235051
10b,10c-dihydropyrene;ethane
CID 123567787
anthracene;benzene;1,12g-dihydrocoronene;naphthalene;pyrene
CID 161485576
2-(1,10c-dihydropyren-4-yl)-4-[4-(4,6-dihydropyren-1-yl)phenyl]-6-pyridin-3-ylpyrimidine
CID 118371063
1-[4-[4-[4-[7-[7-[4-[4-[4-(10,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-10b,10c-dihydropyrene
CID 123595825
10-propan-2-yl-4,10c-dihydropyrene
CID 169059563
9,10-dinaphthalen-1-ylanthracene;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)-3,10c-dihydropyrene-1,6-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159407303
tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine
CID 54530112
2-iodo-10b,10c-dihydropyrene
CID 138626052
1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene
CID 145215013
1-bromo-4-ethyl-3,4,10,10a-tetrahydrochrysene
CID 174429973

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,10c-dihydropyrene?
The IUPAC name of 3-bromo-1,10c-dihydropyrene (CID 73357563) is 3-bromo-1,10c-dihydropyrene.
What is the SMILES notation for 3-bromo-1,10c-dihydropyrene?
The canonical SMILES for 3-bromo-1,10c-dihydropyrene is BrC1=CCC2=CC=C3C=CC=C4C=CC1=C2C43.
What is the InChIKey of 3-bromo-1,10c-dihydropyrene?
The InChIKey is CAVJUECLZDIOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-6,8-9,15H,7H2.
What are the key properties of 3-bromo-1,10c-dihydropyrene?
3-bromo-1,10c-dihydropyrene has a molecular weight of 283.17 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,10c-dihydropyrene is sourced from PubChem (CID 73357563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).