9-(5-bromonaphthalen-1-yl)phenanthrene

C24H15Br — CID 166985687

IUPAC9-(5-bromonaphthalen-1-yl)phenanthrene
SMILESBrc1cccc2c(-c3cc4ccccc4c4ccccc34)cccc12
InChIInChI=1S/C24H15Br/c25-24-14-6-12-19-21(11-5-13-22(19)24)23-15-16-7-1-2-8-17(16)18-9-3-4-10-20(18)23/h1-15H
InChIKeyXIVPYUVQUFCFFE-UHFFFAOYSA-N
MW383.29 g/mol
LogP7.58
Rot. Bonds1

About 9-(5-bromonaphthalen-1-yl)phenanthrene

9-(5-bromonaphthalen-1-yl)phenanthrene (PubChem CID 166985687) has the molecular formula C24H15Br and a molecular weight of 383.29 g/mol. Its IUPAC name is 9-(5-bromonaphthalen-1-yl)phenanthrene.

Molecular Properties

Compound Name9-(5-bromonaphthalen-1-yl)phenanthrene
PubChem CID166985687
Molecular FormulaC24H15Br
Molecular Weight383.29 g/mol
Exact Mass382.04
IUPAC Name9-(5-bromonaphthalen-1-yl)phenanthrene
SMILESBrc1cccc2c(-c3cc4ccccc4c4ccccc34)cccc12
InChIInChI=1S/C24H15Br/c25-24-14-6-12-19-21(11-5-13-22(19)24)23-15-16-7-1-2-8-17(16)18-9-3-4-10-20(18)23/h1-15H
InChIKeyXIVPYUVQUFCFFE-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

9-naphthalen-1-ylphenanthrene
CID 20606742
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
9-(2-bromo-3-chlorophenyl)phenanthrene
CID 177274939
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
9-[2-(3-bromophenyl)phenyl]phenanthrene
CID 144984920
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
9-phenanthren-9-ylphenanthren-1-ol
CID 88608615
1,5-di(phenanthren-9-yl)pyrene
CID 155759767
8-phenanthren-9-ylisoquinoline
CID 171383107
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
CID 4530279

Frequently Asked Questions

What is the IUPAC name of 9-(5-bromonaphthalen-1-yl)phenanthrene?
The IUPAC name of 9-(5-bromonaphthalen-1-yl)phenanthrene (CID 166985687) is 9-(5-bromonaphthalen-1-yl)phenanthrene.
What is the SMILES notation for 9-(5-bromonaphthalen-1-yl)phenanthrene?
The canonical SMILES for 9-(5-bromonaphthalen-1-yl)phenanthrene is Brc1cccc2c(-c3cc4ccccc4c4ccccc34)cccc12.
What is the InChIKey of 9-(5-bromonaphthalen-1-yl)phenanthrene?
The InChIKey is XIVPYUVQUFCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Br/c25-24-14-6-12-19-21(11-5-13-22(19)24)23-15-16-7-1-2-8-17(16)18-9-3-4-10-20(18)23/h1-15H.
What are the key properties of 9-(5-bromonaphthalen-1-yl)phenanthrene?
9-(5-bromonaphthalen-1-yl)phenanthrene 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 9-(5-bromonaphthalen-1-yl)phenanthrene is sourced from PubChem (CID 166985687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).