9-bromo-10-(4-bromobutyl)phenanthrene

C18H16Br2 — CID 10453092

IUPAC9-bromo-10-(4-bromobutyl)phenanthrene
SMILESBrCCCCc1c(Br)c2ccccc2c2ccccc12
InChIInChI=1S/C18H16Br2/c19-12-6-5-11-17-15-8-2-1-7-13(15)14-9-3-4-10-16(14)18(17)20/h1-4,7-10H,5-6,11-12H2
InChIKeyGLPDLIXOZYPDTM-UHFFFAOYSA-N
MW392.13 g/mol
LogP6.47
Rot. Bonds4

About 9-bromo-10-(4-bromobutyl)phenanthrene

9-bromo-10-(4-bromobutyl)phenanthrene (PubChem CID 10453092) has the molecular formula C18H16Br2 and a molecular weight of 392.13 g/mol. Its IUPAC name is 9-bromo-10-(4-bromobutyl)phenanthrene.

Molecular Properties

Compound Name9-bromo-10-(4-bromobutyl)phenanthrene
PubChem CID10453092
Molecular FormulaC18H16Br2
Molecular Weight392.13 g/mol
Exact Mass389.96
IUPAC Name9-bromo-10-(4-bromobutyl)phenanthrene
SMILESBrCCCCc1c(Br)c2ccccc2c2ccccc12
InChIInChI=1S/C18H16Br2/c19-12-6-5-11-17-15-8-2-1-7-13(15)14-9-3-4-10-16(14)18(17)20/h1-4,7-10H,5-6,11-12H2
InChIKeyGLPDLIXOZYPDTM-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.13
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-bromo-10-(4-bromobutyl)phenanthrene 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

9-bromo-10-hexylanthracene
CID 141284839
N-[3-(10-bromophenanthren-9-yl)propyl]aniline
CID 10000449
9,10-bis(5-iodopentyl)anthracene
CID 87842660
9,10-dibutylanthracene
CID 605822
9,10-bis(10,10-dimethylundecyl)anthracene
CID 150041861
lithium;4-bromobutylbenzene;hydride
CID 175042628
3-(3-bromopropyl)-2-methyl-1-benzothiophene
CID 119084208
ethane;9-methyl-10-propylanthracene
CID 144649779
9-butyl-10-methylanthracene
CID 22754688
9-(8-acridin-9-yloctyl)acridine
CID 10504492
10-octylanthracen-9-amine
CID 87887624
5-(4-bromobutyl)phenanthridin-6-one
CID 19382417

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(4-bromobutyl)phenanthrene?
The IUPAC name of 9-bromo-10-(4-bromobutyl)phenanthrene (CID 10453092) is 9-bromo-10-(4-bromobutyl)phenanthrene.
What is the SMILES notation for 9-bromo-10-(4-bromobutyl)phenanthrene?
The canonical SMILES for 9-bromo-10-(4-bromobutyl)phenanthrene is BrCCCCc1c(Br)c2ccccc2c2ccccc12.
What is the InChIKey of 9-bromo-10-(4-bromobutyl)phenanthrene?
The InChIKey is GLPDLIXOZYPDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2/c19-12-6-5-11-17-15-8-2-1-7-13(15)14-9-3-4-10-16(14)18(17)20/h1-4,7-10H,5-6,11-12H2.
What are the key properties of 9-bromo-10-(4-bromobutyl)phenanthrene?
9-bromo-10-(4-bromobutyl)phenanthrene has a molecular weight of 392.13 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(4-bromobutyl)phenanthrene is sourced from PubChem (CID 10453092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).