9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene

C24H14BrF — CID 142705051

IUPAC9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene
SMILESFc1c(-c2c3ccccc3c(Br)c3ccccc23)ccc2ccccc12
InChIInChI=1S/C24H14BrF/c25-23-19-11-5-3-9-17(19)22(18-10-4-6-12-20(18)23)21-14-13-15-7-1-2-8-16(15)24(21)26/h1-14H
InChIKeyNUIZJYUSWRJASQ-UHFFFAOYSA-N
MW401.28 g/mol
LogP7.71
Rot. Bonds1

About 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene

9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene (PubChem CID 142705051) has the molecular formula C24H14BrF and a molecular weight of 401.28 g/mol. Its IUPAC name is 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene
PubChem CID142705051
Molecular FormulaC24H14BrF
Molecular Weight401.28 g/mol
Exact Mass400.03
IUPAC Name9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene
SMILESFc1c(-c2c3ccccc3c(Br)c3ccccc23)ccc2ccccc12
InChIInChI=1S/C24H14BrF/c25-23-19-11-5-3-9-17(19)22(18-10-4-6-12-20(18)23)21-14-13-15-7-1-2-8-16(15)24(21)26/h1-14H
InChIKeyNUIZJYUSWRJASQ-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.28
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
4-(10-bromoanthracen-9-yl)benzo[a]anthracene
CID 86676449
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
10-bromo-1,8-dinaphthalen-1-ylanthracene
CID 142748884
2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
CID 71484457
1-bromo-2-phenylnaphthalene
CID 10956972
1-fluoro-2-(2-methoxy-6-methylphenyl)naphthalene
CID 165003096
1-fluoronaphthalen-2-ol
CID 11094948
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787
9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene
CID 171449361
CID 158015419
CID 158015419

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene?
The IUPAC name of 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene (CID 142705051) is 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene?
The canonical SMILES for 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene is Fc1c(-c2c3ccccc3c(Br)c3ccccc23)ccc2ccccc12.
What is the InChIKey of 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene?
The InChIKey is NUIZJYUSWRJASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrF/c25-23-19-11-5-3-9-17(19)22(18-10-4-6-12-20(18)23)21-14-13-15-7-1-2-8-16(15)24(21)26/h1-14H.
What are the key properties of 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene?
9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene has a molecular weight of 401.28 g/mol, XLogP of 7.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene is sourced from PubChem (CID 142705051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).