1-(8-bromonaphthalen-1-yl)pyrene

C26H15Br — CID 102029905

IUPAC1-(8-bromonaphthalen-1-yl)pyrene
SMILESBrc1cccc2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c12
InChIInChI=1S/C26H15Br/c27-23-9-3-7-16-6-2-8-21(25(16)23)20-14-12-19-11-10-17-4-1-5-18-13-15-22(20)26(19)24(17)18/h1-15H
InChIKeyADZFTIADDHUTOZ-UHFFFAOYSA-N
MW407.31 g/mol
LogP8.17
Rot. Bonds1

About 1-(8-bromonaphthalen-1-yl)pyrene

1-(8-bromonaphthalen-1-yl)pyrene (PubChem CID 102029905) has the molecular formula C26H15Br and a molecular weight of 407.31 g/mol. Its IUPAC name is 1-(8-bromonaphthalen-1-yl)pyrene.

Molecular Properties

Compound Name1-(8-bromonaphthalen-1-yl)pyrene
PubChem CID102029905
Molecular FormulaC26H15Br
Molecular Weight407.31 g/mol
Exact Mass406.04
IUPAC Name1-(8-bromonaphthalen-1-yl)pyrene
SMILESBrc1cccc2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c12
InChIInChI=1S/C26H15Br/c27-23-9-3-7-16-6-2-8-21(25(16)23)20-14-12-19-11-10-17-4-1-5-18-13-15-22(20)26(19)24(17)18/h1-15H
InChIKeyADZFTIADDHUTOZ-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'}

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Related Compounds

1,8-di(pyren-1-yl)pyrene
CID 58915622
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
6-[5-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)naphthalen-1-yl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
CID 59845176
1-pyren-4-ylpyrene
CID 71343129
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
2-(8-bromonaphthalen-1-yl)phenol
CID 176647066
1-(3-bromo-5-pyren-1-ylphenyl)pyrene
CID 71424737
2,5-bis(8-bromonaphthalen-1-yl)-8λ4-thia-7,9-diazoniabicyclo[4.3.0]nona-1(9),2,4,6,7,8-hexaene
CID 162770619
13-pyren-1-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 145350843
3-(2-bromophenyl)fluoranthene
CID 58390376
6-(7-tert-butylpyren-1-yl)pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
CID 59845238
1-(2,5-dimethyl-4-pyren-1-ylphenyl)pyrene;phosphane
CID 160688990

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromonaphthalen-1-yl)pyrene?
The IUPAC name of 1-(8-bromonaphthalen-1-yl)pyrene (CID 102029905) is 1-(8-bromonaphthalen-1-yl)pyrene.
What is the SMILES notation for 1-(8-bromonaphthalen-1-yl)pyrene?
The canonical SMILES for 1-(8-bromonaphthalen-1-yl)pyrene is Brc1cccc2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c12.
What is the InChIKey of 1-(8-bromonaphthalen-1-yl)pyrene?
The InChIKey is ADZFTIADDHUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Br/c27-23-9-3-7-16-6-2-8-21(25(16)23)20-14-12-19-11-10-17-4-1-5-18-13-15-22(20)26(19)24(17)18/h1-15H.
What are the key properties of 1-(8-bromonaphthalen-1-yl)pyrene?
1-(8-bromonaphthalen-1-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-(8-bromonaphthalen-1-yl)pyrene is sourced from PubChem (CID 102029905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).