1-(6-bromonaphthalen-2-yl)pyrene

C26H15Br — CID 58894948

IUPAC1-(6-bromonaphthalen-2-yl)pyrene
SMILESBrc1ccc2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2c1
InChIInChI=1S/C26H15Br/c27-22-11-8-19-14-21(7-6-20(19)15-22)23-12-9-18-5-4-16-2-1-3-17-10-13-24(23)26(18)25(16)17/h1-15H
InChIKeyMHPVHJWAFODVAD-UHFFFAOYSA-N
MW407.31 g/mol
LogP8.17
Rot. Bonds1

About 1-(6-bromonaphthalen-2-yl)pyrene

1-(6-bromonaphthalen-2-yl)pyrene (PubChem CID 58894948) has the molecular formula C26H15Br and a molecular weight of 407.31 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)pyrene.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)pyrene
PubChem CID58894948
Molecular FormulaC26H15Br
Molecular Weight407.31 g/mol
Exact Mass406.04
IUPAC Name1-(6-bromonaphthalen-2-yl)pyrene
SMILESBrc1ccc2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2c1
InChIInChI=1S/C26H15Br/c27-22-11-8-19-14-21(7-6-20(19)15-22)23-12-9-18-5-4-16-2-1-3-17-10-13-24(23)26(18)25(16)17/h1-15H
InChIKeyMHPVHJWAFODVAD-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(6-bromonaphthalen-2-yl)pyrene 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

1-(3-bromo-5-pyren-1-ylphenyl)pyrene
CID 71424737
1-[3-bromo-5-(4-bromophenyl)phenyl]pyrene
CID 86253770
1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789
1-(3-pyren-2-ylphenyl)pyrene
CID 156656908
1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;1-[4-[2,4,5-tris(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 162207927
4-(7-pyren-4-ylnaphthalen-2-yl)pyrene
CID 59805090
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1,8-di(pyren-1-yl)pyrene
CID 58915622
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)pyrene?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)pyrene (CID 58894948) is 1-(6-bromonaphthalen-2-yl)pyrene.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)pyrene?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)pyrene is Brc1ccc2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)pyrene?
The InChIKey is MHPVHJWAFODVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Br/c27-22-11-8-19-14-21(7-6-20(19)15-22)23-12-9-18-5-4-16-2-1-3-17-10-13-24(23)26(18)25(16)17/h1-15H.
What are the key properties of 1-(6-bromonaphthalen-2-yl)pyrene?
1-(6-bromonaphthalen-2-yl)pyrene has a molecular weight of 407.31 g/mol, XLogP of 8.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)pyrene is sourced from PubChem (CID 58894948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).